In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2005 | 29 | Yes |
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) | 1.46 | -3.29 | -15.45 | 1 | 8 | 0 | 87 | 390.399 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.46 | -3.15 | -42.58 | 2 | 8 | 1 | 89 | 391.407 | 1 | ↓ |