UCSF

ZINC55568747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 1.48 10.8 -39.08 1 5 0 62 305.353 6
Mid Mid (pH 6-8) 1.48 11.28 -73.96 2 5 1 64 306.361 6

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

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