UCSF

ZINC42011131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 13 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) 1.30 5.26 -112.46 4 2 2 32 184.327 5
Mid Mid (pH 6-8) 1.30 3.31 -41.36 3 2 1 31 183.319 5
Mid Mid (pH 6-8) 1.30 4.87 -30.28 3 2 1 30 183.319 5

Activity (Go SEA)

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

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