In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 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) | 1.98 | 8.06 | -35.35 | 2 | 2 | 1 | 16 | 245.39 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 9.11 | -106.9 | 3 | 2 | 2 | 21 | 246.398 | 2 | ↓ |