UCSF

ZINC61379406

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 15 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) 0.94 5.15 -91.94 3 4 2 42 215.341 6
Mid Mid (pH 6-8) 0.94 2.78 -29.36 2 4 1 41 214.333 6

Activity (Go SEA)

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

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