In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 15 | Yes |
Popular Name: [(3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1R,2R,3S)-2,3-dimethyl…
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) | 2.04 | 5.9 | -103.18 | 4 | 2 | 2 | 32 | 212.381 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.04 | 5.5 | -30.15 | 3 | 2 | 1 | 30 | 211.373 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.04 | 3.81 | -43.19 | 3 | 2 | 1 | 31 | 211.373 | 2 | ↓ |