In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 15 | 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) | 0.57 | 1.22 | -32.83 | 4 | 4 | 1 | 60 | 214.333 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.57 | 0.2 | -42.89 | 4 | 4 | 1 | 63 | 214.333 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 2.43 | -103.07 | 5 | 4 | 2 | 64 | 215.341 | 5 | ↓ |