In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 20 | 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) | 2.86 | 8.08 | -38.95 | 2 | 3 | 1 | 34 | 272.368 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 8.87 | -62.33 | 1 | 3 | 0 | 37 | 271.36 | 6 | ↓ |