In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 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) | 3.70 | 8 | -16.1 | 3 | 8 | 0 | 111 | 431.283 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.70 | 8.39 | -35.75 | 4 | 8 | 1 | 113 | 432.291 | 5 | ↓ |