UCSF

ZINC66128657

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 46 No

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) 6.72 17.79 -35.24 1 9 1 93 628.79 14
Mid Mid (pH 6-8) 6.72 17.43 -17.98 0 9 0 92 627.782 14

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

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