In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 18 | 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) | 2.55 | 7.16 | -35.4 | 3 | 2 | 1 | 30 | 249.422 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 5.7 | -41.7 | 3 | 2 | 1 | 31 | 249.422 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 7.48 | -111.93 | 4 | 2 | 2 | 32 | 250.43 | 2 | ↓ |