UCSF

ZINC55037061

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) -0.23 5.54 -55.56 2 7 -1 99 331.377 6
Mid Mid (pH 6-8) -0.23 5.99 -67.79 3 7 0 100 332.385 6
Lo Low (pH 4.5-6) -0.23 4 -40.39 4 7 1 97 333.393 6

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

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