In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 17 | 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) | 1.68 | 4.6 | -39.54 | 2 | 3 | 1 | 29 | 241.399 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 6.81 | -118.51 | 3 | 3 | 2 | 30 | 242.407 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.