In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 17 | 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) | 1.05 | 7.51 | -41.19 | 3 | 2 | 1 | 33 | 227.331 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 7.2 | -4.3 | 2 | 2 | 0 | 31 | 226.323 | 1 | ↓ |