UCSF

ZINC55067937

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.20 5.12 -41.62 2 5 1 46 267.397 4
Hi High (pH 8-9.5) 1.20 3.35 -6.36 1 5 0 45 266.389 4
Mid Mid (pH 6-8) 1.20 5.26 -82.99 3 5 2 47 268.405 4

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

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