In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 13 | 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) | -0.14 | -1.43 | -41.47 | 5 | 5 | 1 | 89 | 188.251 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.14 | -2.77 | -9.12 | 4 | 5 | 0 | 84 | 187.243 | 6 | ↓ |