In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 22 | Yes |
Popular Name: (2S)-1-[[(1S)-3,3-dimethylcyclohexyl]amino]-3-(3-methoxyphenoxy)propan-2-ol (2S)-1-[[(1S)-3,3-dimethylcycloh…
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) | 3.49 | 5.3 | -42.31 | 3 | 4 | 1 | 55 | 308.442 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.49 | 4.03 | -5.63 | 2 | 4 | 0 | 51 | 307.434 | 7 | ↓ |