UCSF

ZINC42120067

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 24 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) 3.26 6.27 -14.42 1 5 0 51 375.296 7
Mid Mid (pH 6-8) 3.26 8.2 -51.92 2 5 1 52 376.304 7

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

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