UCSF

ZINC20362150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 1.60 4.26 -11.57 1 4 0 43 236.296 1
Mid Mid (pH 6-8) 1.60 4.7 -29.63 2 4 1 44 237.304 2

Activity (Go SEA)

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

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