UCSF

ZINC19726738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 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) 0.98 6.11 -62 1 4 0 57 240.328 4
Mid Mid (pH 6-8) 0.98 3.84 -51.29 0 4 -1 56 239.32 4

Activity (Go SEA)

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

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