In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 25 | 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) | 0.85 | 5.63 | -17.34 | 3 | 9 | 0 | 117 | 360.314 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 5.88 | -38.12 | 4 | 9 | 1 | 118 | 361.322 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 1.48 | -35.07 | 4 | 9 | 1 | 118 | 361.322 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.