In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2011 | 23 | 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) | -0.12 | 5.78 | -21.54 | 1 | 8 | 0 | 98 | 308.301 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.12 | 6.24 | -51.78 | 2 | 8 | 1 | 99 | 309.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.