In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2006 | 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) | 2.40 | 4.56 | -45.2 | 1 | 4 | 0 | 53 | 256.371 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 4.48 | -44.72 | 0 | 4 | -1 | 51 | 255.363 | 6 | ↓ |