In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 12 | 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) | 2.02 | 4.4 | -33.67 | 2 | 2 | 1 | 20 | 173.324 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 4.85 | -27.61 | 2 | 2 | 1 | 16 | 173.324 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 6.37 | -109.46 | 3 | 2 | 2 | 21 | 174.332 | 6 | ↓ |