In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 19 | 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) | 1.77 | 5.15 | -42.67 | 3 | 3 | 1 | 44 | 258.389 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 5.19 | -85.14 | 4 | 3 | 2 | 45 | 259.397 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 6.92 | -34.89 | 3 | 3 | 1 | 43 | 258.389 | 7 | ↓ |