UCSF

ZINC27640753

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 Yes

CAS Numbers: 4510-16-1 , 551-11-1

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) 3.05 3.88 -53.76 3 5 -1 101 353.479 12
Lo Low (pH 4.5-6) 3.05 2.76 -14.6 4 5 0 98 354.487 12

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

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