In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2011 | 25 | 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) | 0.24 | 3.8 | -45.72 | 4 | 7 | 1 | 93 | 344.439 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 1.62 | -15.29 | 3 | 7 | 0 | 92 | 343.431 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 2.03 | -34.59 | 4 | 7 | 1 | 93 | 344.439 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 4.21 | -91.61 | 5 | 7 | 2 | 94 | 345.447 | 2 | ↓ |