UCSF

ZINC39402741

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 25 Yes

CAS Numbers: 55079-83-9 , [55079-83-9]

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) 5.18 10.11 -56.92 0 4 -1 59 341.427 7
Lo Low (pH 4.5-6) 5.18 9.55 -9.15 1 4 0 56 342.435 7

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

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