In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 27 | 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) | 4.85 | 10.66 | -10.73 | 0 | 4 | 0 | 42 | 370.537 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.85 | 10.97 | -35.87 | 1 | 4 | 1 | 44 | 371.545 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.