In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 21 | Yes |
Popular Name: (2S)-1-benzyloxy-3-[4-(dimethylamino)-1-piperidyl]propan-2-ol (2S)-1-benzyloxy-3-[4-(dimethyla…
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) | 1.70 | 4.95 | -36.67 | 2 | 4 | 1 | 37 | 293.431 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 7.22 | -100.67 | 3 | 4 | 2 | 38 | 294.439 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 4.62 | -39.6 | 2 | 4 | 1 | 37 | 293.431 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.