In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 29 | 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) | 3.63 | 8.84 | -65.88 | 1 | 5 | -1 | 81 | 390.459 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.63 | 7.94 | -15.87 | 2 | 5 | 0 | 78 | 391.467 | 7 | ↓ |