In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 22 | 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) | 1.95 | 6.63 | -48.09 | 3 | 5 | 1 | 62 | 297.382 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 5.35 | -10.19 | 2 | 5 | 0 | 57 | 296.374 | 3 | ↓ |