In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 14 | 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) | -0.91 | 0.64 | -46.86 | 3 | 4 | 1 | 51 | 198.29 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.91 | 2.84 | -105.21 | 4 | 4 | 2 | 52 | 199.298 | 2 | ↓ |