UCSF

ZINC69193476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 18 No

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) -0.04 3.1 -10.73 1 6 0 76 254.286 6
Mid Mid (pH 6-8) -0.04 4.37 -35.64 2 6 1 80 255.294 6

Activity (Go SEA)

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

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