In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 12 | 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) | 0.04 | -2.3 | -9.12 | 2 | 5 | 0 | 78 | 164.168 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.04 | -1.47 | -26.99 | 3 | 5 | 1 | 79 | 165.176 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.04 | -6.16 | -27.64 | 3 | 5 | 1 | 79 | 165.176 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.