UCSF

ZINC61442351

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 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) -0.54 1.43 -54.47 3 6 1 73 293.391 5
Lo Low (pH 4.5-6) -0.54 2.9 -119.1 4 6 2 75 294.399 5

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

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