UCSF

ZINC53657157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 2.31 5.85 -37.02 2 3 1 33 262.421 5
Mid Mid (pH 6-8) 2.31 6.58 -77.07 3 3 2 34 263.429 5
Mid Mid (pH 6-8) 2.31 8.08 -97.18 3 3 2 34 263.429 5

Activity (Go SEA)

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

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