In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 1.45 | 2.85 | -37.71 | 2 | 4 | 1 | 38 | 255.382 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 2.02 | -3.16 | 1 | 4 | 0 | 34 | 254.374 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 4.32 | -33.27 | 2 | 4 | 1 | 35 | 255.382 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 5.03 | -117.42 | 3 | 4 | 2 | 40 | 256.39 | 3 | ↓ |