In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 44 | No |
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) | 8.80 | 13.74 | -52.88 | 1 | 11 | -1 | 149 | 607.728 | 22 | ↓ |
Mid Mid (pH 6-8) | 8.57 | 16.28 | -20.09 | 2 | 11 | 0 | 145 | 608.736 | 22 | ↓ |
Lo Low (pH 4.5-6) | 8.80 | 13.73 | -53.11 | 1 | 11 | -1 | 149 | 607.728 | 22 | ↓ |
No pre-computed analogs available. Try a structural similarity search.