UCSF

ZINC54931009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 1.67 3.34 -32.39 3 4 1 62 200.221 0
Mid Mid (pH 6-8) 1.67 3.19 -11.5 2 4 0 61 199.213 0
Mid Mid (pH 6-8) 1.67 3.3 -28.09 3 4 1 62 200.221 0

Activity (Go SEA)

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

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