In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 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) | 0.90 | 3.72 | -44.29 | 3 | 4 | 1 | 46 | 240.371 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 2.34 | -40.18 | 3 | 4 | 1 | 49 | 240.371 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.90 | 4.63 | -108.55 | 4 | 4 | 2 | 50 | 241.379 | 3 | ↓ |