In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2008 | 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) | 2.57 | 6.12 | -35.47 | 1 | 3 | 1 | 17 | 255.769 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 6.01 | -36.75 | 1 | 3 | 1 | 17 | 255.769 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 3.74 | -4.61 | 0 | 3 | 0 | 16 | 254.761 | 4 | ↓ |