In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 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) | 1.49 | 8.71 | -52.8 | 2 | 8 | 1 | 83 | 370.433 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 8.24 | -21.91 | 1 | 8 | 0 | 82 | 369.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.