UCSF

ZINC70335532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 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) 2.04 4.38 -29.3 3 4 1 43 276.404 5
Hi High (pH 8-9.5) 2.04 3.25 -5.1 2 4 0 39 275.396 5
Mid Mid (pH 6-8) 2.04 5.26 -93.05 4 4 2 45 277.412 5

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

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