In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 43 | No |
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) | 7.17 | 20.71 | -30.34 | 0 | 4 | 1 | 35 | 631.897 | 6 | ↓ |
Mid Mid (pH 6-8) | 7.17 | 21.03 | -31.05 | 0 | 4 | 1 | 35 | 631.897 | 6 | ↓ |
Mid Mid (pH 6-8) | 7.17 | 20.77 | -30.54 | 0 | 4 | 1 | 35 | 631.897 | 6 | ↓ |