In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 17 | Yes |
Popular Name: N-methyl-2-[[(9S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]acetamide N-methyl-2-[[(9S)-6,7,8,9-tetrah…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.67 | 4.32 | -7.89 | 2 | 3 | 0 | 41 | 232.327 | 3 | ↓ |
Popular Name: 2-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]acetamide 2-[[(5R)-6,7,8,9-tetrahydro-5H-b…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.80 | 3.69 | -41.02 | 4 | 3 | 1 | 60 | 219.308 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 2.81 | -9.34 | 3 | 3 | 0 | 55 | 218.3 | 3 | ↓ |
Popular Name: 2-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]acetamide 2-[[(5S)-6,7,8,9-tetrahydro-5H-b…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.80 | 3.67 | -41.07 | 4 | 3 | 1 | 60 | 219.308 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 2.38 | -9.2 | 3 | 3 | 0 | 55 | 218.3 | 3 | ↓ |