In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 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) | -1.52 | 1.43 | -41.57 | 2 | 6 | 0 | 96 | 185.183 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.52 | 0.08 | -45.68 | 1 | 6 | -1 | 91 | 184.175 | 5 | ↓ |