UCSF

ZINC02530792

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 Yes

CAS Numbers: 16689-14-8 , 16889-14-8 , 6491-83-4

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) 1.44 -1.19 -44.16 4 5 1 83 259.37 8

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

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