In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 20 | 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) | 0.53 | 3.34 | -39.95 | 3 | 5 | 1 | 65 | 285.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.53 | 1.6 | -9.27 | 2 | 5 | 0 | 64 | 284.4 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.