In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2012 | 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) | 2.06 | 3.78 | -12.3 | 3 | 7 | 0 | 104 | 359.407 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 1.84 | -42.41 | 2 | 7 | -1 | 107 | 358.399 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 3.24 | -18.56 | 3 | 7 | 0 | 104 | 359.407 | 5 | ↓ |