In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 28 | 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) | 4.26 | 8.12 | -9.67 | 0 | 5 | 0 | 52 | 379.456 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 10.99 | -48.08 | 1 | 5 | 1 | 53 | 380.464 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.