In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2007 | 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) | 5.14 | 2.48 | -12.61 | 0 | 5 | 0 | 63 | 416.864 | 2 | ↓ |
Lo Low (pH 4.5-6) | 5.14 | 2.64 | -30.75 | 1 | 5 | 1 | 64 | 417.872 | 2 | ↓ |