In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 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) | 2.23 | 3.37 | -47.83 | 3 | 2 | 1 | 31 | 251.316 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 3.18 | -1.56 | 2 | 2 | 0 | 29 | 250.308 | 3 | ↓ |