In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2010 | 31 | 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) | -1.05 | 2.95 | -77.91 | 7 | 9 | 0 | 162 | 424.457 | 9 | ↓ |
Hi High (pH 8-9.5) | -1.05 | 2.68 | -55.72 | 6 | 9 | -1 | 160 | 423.449 | 9 | ↓ |