UCSF

ZINC22063392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 Yes

CAS Number: 65719-03-1

Other Names:

MFCD09952241

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) 1.40 4.14 -6.84 0 2 0 25 160.22 1
Lo Low (pH 4.5-6) 1.40 4.38 -28.96 1 2 1 27 161.228 1

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

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