In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 20 | 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) | 3.19 | 7.3 | -55.25 | 4 | 4 | 1 | 69 | 275.42 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 7.71 | -83.01 | 5 | 4 | 2 | 70 | 276.428 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 7.72 | -82.04 | 5 | 4 | 2 | 70 | 276.428 | 10 | ↓ |