In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 18 | Yes |
Popular Name: (2S)-1-[[(1S,2R)-2-ethylcyclohexyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1S,2R)-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) | 2.53 | 6.24 | -101.98 | 4 | 3 | 2 | 41 | 256.434 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 6.77 | -37.5 | 3 | 3 | 1 | 44 | 255.426 | 6 | ↓ |