In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 17 | No |
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) | 2.59 | 7.94 | -49.59 | 0 | 4 | -1 | 56 | 271.387 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 8.28 | -39.68 | 1 | 4 | 0 | 58 | 272.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.