UCSF

ZINC08442279

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 1.84 -15.66 -20.82 4 11 0 178 510 7
Hi High (pH 8-9.5) 1.84 -15.08 -41.53 3 11 -1 180 508.992 7
Hi High (pH 8-9.5) 1.84 -15.08 -49.06 3 11 -1 180 508.992 7
Hi High (pH 8-9.5) 1.84 -14.51 -89.33 2 11 -2 182 507.984 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.