In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 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) | 0.03 | 1.9 | -45.19 | 2 | 6 | 1 | 57 | 291.441 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 3.11 | -118.33 | 3 | 6 | 2 | 62 | 292.449 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | -0.03 | -7.14 | 1 | 6 | 0 | 56 | 290.433 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 1.15 | -52.83 | 2 | 6 | 1 | 60 | 291.441 | 4 | ↓ |