In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 16 | Yes |
None
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) | 1.78 | 4.64 | -43.97 | 2 | 4 | 0 | 66 | 214.224 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 3.13 | -13.91 | 2 | 4 | 0 | 62 | 214.224 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 4.15 | -51.48 | 1 | 4 | -1 | 65 | 213.216 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | 3.7 | -42.67 | 3 | 4 | 1 | 63 | 215.232 | 2 | ↓ |