In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2012 | 15 | 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) | 0.96 | 7.27 | -33.47 | 2 | 3 | 0 | 57 | 272.142 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.96 | 6.26 | -42.01 | 1 | 3 | -1 | 52 | 271.134 | 5 | ↓ |