In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 31 | 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) | 4.34 | 1.92 | -7.59 | 0 | 6 | 0 | 74 | 439.43 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 2.02 | -7.34 | 0 | 6 | 0 | 74 | 439.43 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 3.38 | -15.51 | 0 | 6 | 0 | 74 | 439.43 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 1.91 | -7.48 | 0 | 6 | 0 | 74 | 439.43 | 8 | ↓ |