UCSF

ZINC53373759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 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) 2.75 7.7 -112.61 3 3 2 30 256.434 5
Mid Mid (pH 6-8) 2.75 6.37 -35.31 2 3 1 29 255.426 5
Mid Mid (pH 6-8) 2.75 6.43 -33.65 2 3 1 26 255.426 5

Activity (Go SEA)

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

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