UCSF

ZINC04693563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 17 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) 0.90 3.03 -15.04 2 5 0 79 228.207 1
Hi High (pH 8-9.5) 0.91 3.89 -54.32 1 5 -1 82 227.199 1
Mid Mid (pH 6-8) 0.90 3.52 -41.14 3 5 1 80 229.215 1
Mid Mid (pH 6-8) 0.90 3.54 -41.09 3 5 1 80 229.215 1

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

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