In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 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) | 0.46 | 3.93 | -3.5 | 2 | 3 | 0 | 38 | 260.381 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.46 | 6.46 | -123.3 | 4 | 3 | 2 | 41 | 262.397 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.46 | 6.11 | -37.29 | 3 | 3 | 1 | 40 | 261.389 | 4 | ↓ |