In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 13 | 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) | 1.91 | 3.79 | -43.16 | 3 | 2 | 1 | 31 | 187.351 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 5.56 | -27.37 | 3 | 2 | 1 | 30 | 187.351 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 4.85 | -119.06 | 4 | 2 | 2 | 32 | 188.359 | 6 | ↓ |