In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 16 | 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) | 1.54 | 5.7 | -8.9 | 1 | 3 | 0 | 53 | 212.252 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 3.6 | -40.36 | 0 | 3 | -1 | 59 | 211.244 | 4 | ↓ |