In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2004 | 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) | 4.19 | 7.54 | -10.72 | 3 | 5 | 0 | 88 | 382.398 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.19 | 7.6 | -60.93 | 4 | 5 | 1 | 89 | 383.406 | 2 | ↓ |