In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 2008 | 29 | 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) | 4.89 | 13.58 | -59.71 | 0 | 5 | -1 | 70 | 382.443 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.89 | 14 | -70.39 | 1 | 5 | 0 | 72 | 383.451 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.