In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 24 | No |
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) | 0.87 | 4.65 | -45.38 | 3 | 7 | 1 | 83 | 335.428 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 2.29 | -10.73 | 2 | 7 | 0 | 81 | 334.42 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 3.47 | -36.92 | 3 | 7 | 1 | 83 | 335.428 | 2 | ↓ |