In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | 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) | 5.16 | 8.81 | -8.83 | 0 | 5 | 0 | 52 | 405.494 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.16 | 11.79 | -41.41 | 1 | 5 | 1 | 53 | 406.502 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.