In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 29 | 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) | 4.90 | 9.93 | -9.08 | 0 | 4 | 0 | 43 | 403.503 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.90 | 12.78 | -49.53 | 1 | 4 | 1 | 44 | 404.511 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.