In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 17 | 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) | -0.64 | 5.24 | -61.68 | 1 | 7 | -1 | 100 | 239.255 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.64 | 4.12 | -24.5 | 2 | 7 | 0 | 97 | 240.263 | 8 | ↓ |