In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 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) | 2.26 | 7.19 | -109.65 | 3 | 2 | 2 | 21 | 200.37 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 5.83 | -31.34 | 2 | 2 | 1 | 16 | 199.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 5.12 | -35.98 | 2 | 2 | 1 | 20 | 199.362 | 5 | ↓ |