In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 16 | Yes |
Popular Name: (S)-(2-chloro-4-methoxy-phenyl)-[(2S)-pyrrolidin-2-yl]methanol (S)-(2-chloro-4-methoxy-phenyl)-…
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) | 1.96 | 3.24 | -38.71 | 3 | 3 | 1 | 46 | 242.726 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.96 | 2.07 | -3.63 | 2 | 3 | 0 | 41 | 241.718 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.