In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 15 | Yes |
Popular Name: [(3R)-1-[(1S,2S)-2-ethylcyclohexyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S,2S)-2-ethylcyclohex…
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) | 2.30 | 6.02 | -103.99 | 4 | 2 | 2 | 32 | 212.381 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 4.05 | -42.17 | 3 | 2 | 1 | 31 | 211.373 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 5.64 | -30.88 | 3 | 2 | 1 | 30 | 211.373 | 3 | ↓ |