In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | 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) | 0.30 | 0.84 | -39.93 | 3 | 5 | 1 | 59 | 275.413 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.30 | 1.55 | -32.84 | 3 | 5 | 1 | 55 | 275.413 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.30 | 2.94 | -111.13 | 4 | 5 | 2 | 60 | 276.421 | 9 | ↓ |