In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 16 | 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) | 1.10 | 5.03 | -77.75 | 4 | 3 | 2 | 33 | 227.396 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 6.08 | -175.06 | 5 | 3 | 3 | 38 | 228.404 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 4.75 | -94.88 | 4 | 3 | 2 | 33 | 227.396 | 4 | ↓ |