In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2006 | 22 | 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) | 4.30 | 6.58 | -15.05 | 2 | 4 | 0 | 59 | 293.322 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.30 | 7.58 | -62.23 | 1 | 4 | -1 | 61 | 292.314 | 3 | ↓ |