In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 29 | 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) | 1.53 | 4.26 | -24.72 | 1 | 8 | 0 | 89 | 425.53 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 3.96 | -51.3 | 0 | 8 | -1 | 91 | 424.522 | 7 | ↓ |