In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 24 | 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) | 0.59 | 3.26 | -12.78 | 1 | 7 | 0 | 76 | 348.428 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 5.52 | -40.02 | 2 | 7 | 1 | 77 | 349.436 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 6.01 | -82.87 | 3 | 7 | 2 | 78 | 350.444 | 4 | ↓ |