In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 28 | 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 | 7.13 | -47.72 | 1 | 7 | 1 | 55 | 390.552 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 9.42 | -83.37 | 2 | 7 | 2 | 56 | 391.56 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 7.17 | -35.05 | 1 | 7 | 1 | 55 | 390.552 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 4.89 | -9.48 | 0 | 7 | 0 | 54 | 389.544 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.