In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 25 | 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) | 1.56 | 8.99 | -37.61 | 3 | 8 | 1 | 94 | 335.395 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.56 | 8.87 | -15.38 | 2 | 8 | 0 | 93 | 334.387 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.56 | 9.05 | -37.95 | 3 | 8 | 1 | 94 | 335.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.