UCSF

ZINC71789444

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 25 Yes

CAS Numbers: 103577-45-3 , [103577-45-3]

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) 2.94 5.4 -49.79 2 5 1 69 370.376 6
Hi High (pH 8-9.5) 2.94 5.02 -23.55 1 5 0 68 369.368 6

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

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