In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 10 | 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) | -0.59 | 1.15 | -92.42 | 4 | 3 | 2 | 33 | 145.25 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.59 | -0.18 | -31.25 | 3 | 3 | 1 | 28 | 144.242 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.59 | -1.46 | -37.43 | 3 | 3 | 1 | 32 | 144.242 | 2 | ↓ |