In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | 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) | 0.13 | 5.72 | -39.71 | 4 | 6 | 1 | 86 | 285.375 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.13 | 6.77 | -10.74 | 3 | 6 | 0 | 84 | 284.367 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.13 | 6.17 | -93.84 | 5 | 6 | 2 | 87 | 286.383 | 4 | ↓ |