UCSF

ZINC65164820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 29 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) 3.27 8.62 -14.3 0 6 0 58 432.977 6
Mid Mid (pH 6-8) 3.27 10.82 -54.34 1 6 1 60 433.985 6

Activity (Go SEA)

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

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