In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 32 | 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) | 5.19 | 12 | -24.22 | 1 | 7 | 0 | 84 | 458.628 | 12 | ↓ |
Hi High (pH 8-9.5) | 5.38 | 10.94 | -52.08 | 0 | 7 | -1 | 91 | 457.62 | 12 | ↓ |