In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2008 | 30 | 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) | 0.33 | -3.36 | -19.59 | 1 | 8 | 0 | 92 | 416.522 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.33 | -3.3 | -49.51 | 2 | 8 | 1 | 93 | 417.53 | 9 | ↓ |