In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 17 | 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) | 3.01 | 7.43 | -35.86 | 2 | 2 | 1 | 20 | 235.395 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 5.78 | -1.73 | 1 | 2 | 0 | 15 | 234.387 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 9.23 | -116.25 | 3 | 2 | 2 | 21 | 236.403 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 8.16 | -30.37 | 2 | 2 | 1 | 16 | 235.395 | 8 | ↓ |