In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | No |
None
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) | 3.96 | 9.25 | -12.23 | 0 | 7 | 0 | 60 | 487.6 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 11.53 | -49.78 | 1 | 7 | 1 | 61 | 488.608 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 14.39 | -127.69 | 2 | 7 | 2 | 62 | 489.616 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.