In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 12 | 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) | 0.91 | 4.78 | -108.24 | 4 | 2 | 2 | 32 | 170.3 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 2.81 | -42.5 | 3 | 2 | 1 | 31 | 169.292 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 4.33 | -27.16 | 3 | 2 | 1 | 30 | 169.292 | 3 | ↓ |