UCSF

ZINC39616740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 15 No

CAS Numbers: 12002-53-8 , 815-17-8 , [815-17-8]

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) 3.74 8.27 -3.68 0 2 0 26 232.751 3

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