UCSF

ZINC00001183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

CAS Numbers: 13278-36-9 , 4295-55-0

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) 5.23 0.2 -50.87 1 3 -1 52 281.118 3

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

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