In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 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) | 1.64 | 4.24 | -43.95 | 4 | 3 | 1 | 46 | 246.256 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 3.02 | -2.48 | 3 | 3 | 0 | 41 | 245.248 | 2 | ↓ |