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) | 4.14 | 6.77 | -13.97 | 3 | 8 | 0 | 134 | 428.235 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.14 | 7.03 | -71.54 | 4 | 8 | 1 | 135 | 429.243 | 3 | ↓ |