UCSF

ZINC55064091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 0.99 5.06 -98.24 4 4 2 48 278.444 5
Hi High (pH 8-9.5) 0.99 3.26 -40 3 4 1 47 277.436 5
Hi High (pH 8-9.5) 0.99 3.07 -3.1 2 4 0 45 276.428 5
Lo Low (pH 4.5-6) 0.99 5.61 -176.72 5 4 3 49 279.452 5

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

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