In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 14 | 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) | 2.60 | 5.38 | -39.2 | 2 | 2 | 1 | 29 | 207.322 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 4.06 | -5.68 | 1 | 2 | 0 | 25 | 206.314 | 3 | ↓ |