In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 14 | 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) | 0.53 | 3.07 | -40.74 | 4 | 3 | 1 | 60 | 191.254 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 1.76 | -9.22 | 3 | 3 | 0 | 55 | 190.246 | 4 | ↓ |