In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 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) | 0.78 | 3.83 | -109.72 | 4 | 2 | 2 | 33 | 144.262 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 2.48 | -33.42 | 3 | 2 | 1 | 29 | 143.254 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 2.54 | -36.27 | 3 | 2 | 1 | 29 | 143.254 | 6 | ↓ |