In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 30 | 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) | 7.08 | 12.8 | -9.88 | 0 | 4 | 0 | 42 | 434.634 | 6 | ↓ |
Lo Low (pH 4.5-6) | 7.08 | 13.08 | -27.11 | 1 | 4 | 1 | 43 | 435.642 | 6 | ↓ |