In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 14 | 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) | 1.75 | 6.49 | -8.53 | 0 | 2 | 0 | 34 | 273.151 | 1 | ↓ |
Ref Reference (pH 7) | 2.50 | 6.3 | -38.18 | 0 | 2 | -1 | 40 | 272.143 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 6.3 | -38.2 | 0 | 2 | -1 | 40 | 272.143 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 4.58 | -8.76 | 1 | 2 | 0 | 37 | 273.151 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 4.59 | -8.76 | 1 | 2 | 0 | 37 | 273.151 | 1 | ↓ |