In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 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) | 2.22 | 7.44 | -62.73 | 2 | 9 | -1 | 137 | 428.475 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 4.98 | -127.69 | 1 | 9 | -2 | 140 | 427.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.