In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 30 | No |
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) | 6.31 | 13.98 | -50.01 | 0 | 5 | -1 | 68 | 440.976 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.31 | 12.02 | -48.02 | 1 | 5 | 0 | 70 | 441.984 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.31 | 13.46 | -56.75 | 1 | 5 | 0 | 70 | 441.984 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.31 | 14.29 | -35.43 | 1 | 5 | 0 | 70 | 441.984 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.