In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 18 | 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) | 1.40 | 4.61 | -40.82 | 3 | 4 | 1 | 46 | 254.398 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 5.54 | -107.43 | 4 | 4 | 2 | 50 | 255.406 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.25 | -40.78 | 3 | 4 | 1 | 49 | 254.398 | 4 | ↓ |