In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 26th, 2011 | 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) | -0.57 | 2.23 | -45.13 | 1 | 5 | 1 | 37 | 228.316 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.57 | -0.12 | -8.29 | 0 | 5 | 0 | 36 | 227.308 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.57 | 4.43 | -95.68 | 2 | 5 | 2 | 38 | 229.324 | 2 | ↓ |