In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | Yes |
Popular Name: (1R)-N-ethyl-N-[(1S)-1-methylpropyl]-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1R)-N-ethyl-N-[(1S)-1-methylpro…
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) | 1.21 | 2.19 | -45.99 | 3 | 3 | 1 | 40 | 215.361 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 1.77 | -1.86 | 2 | 3 | 0 | 38 | 214.353 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.21 | 3.43 | -29.45 | 3 | 3 | 1 | 40 | 215.361 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.21 | 3.23 | -117.96 | 4 | 3 | 2 | 41 | 216.369 | 6 | ↓ |