In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 20 | Yes |
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) | 0.65 | 5.65 | -60.37 | 3 | 7 | -1 | 121 | 286.296 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.65 | 5.21 | -116.66 | 2 | 7 | -2 | 119 | 285.288 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.