In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 34 | 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) | 3.45 | 11.41 | -15.31 | 0 | 7 | 0 | 82 | 456.498 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | 11.87 | -43.18 | 1 | 7 | 1 | 83 | 457.506 | 5 | ↓ |