In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 25 | No |
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) | 1.33 | 5.55 | -46.86 | 1 | 7 | -1 | 90 | 357.415 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 6.6 | -14.02 | 2 | 7 | 0 | 87 | 358.423 | 2 | ↓ |