In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]cyclohexanamine (1S,2R)-2-[(4S)-4-methyl-6,7-dih…
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) | 2.43 | 6.93 | -29.95 | 3 | 2 | 1 | 30 | 251.419 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 4.72 | -2.26 | 2 | 2 | 0 | 29 | 250.411 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 4.94 | -42.91 | 3 | 2 | 1 | 31 | 251.419 | 1 | ↓ |