In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 18 | 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) | 3.12 | 7.39 | -45.76 | 2 | 3 | 1 | 33 | 307.215 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.12 | 6.08 | -8.46 | 1 | 3 | 0 | 28 | 306.207 | 1 | ↓ |