In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 34 | 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) | 3.98 | 16.15 | -55.28 | 1 | 6 | 1 | 46 | 460.646 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.98 | 14.13 | -9.97 | 0 | 6 | 0 | 45 | 459.638 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.98 | 16.39 | -94.2 | 2 | 6 | 2 | 47 | 461.654 | 8 | ↓ |