In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 16 | 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) | 2.08 | 4.13 | -57.29 | 4 | 3 | 1 | 57 | 221.324 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 3.74 | -9.61 | 3 | 3 | 0 | 55 | 220.316 | 5 | ↓ |