In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 13 | 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) | -0.21 | 2.03 | -44.91 | 3 | 4 | -1 | 86 | 180.183 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.21 | 0.06 | -7.61 | 4 | 4 | 0 | 84 | 181.191 | 3 | ↓ |