In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 18 | Yes |
Popular Name: (2S)-2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(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) | 2.57 | 7.06 | -34.94 | 2 | 3 | 1 | 37 | 253.41 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 6.15 | -7.86 | 1 | 3 | 0 | 32 | 252.402 | 3 | ↓ |