UCSF

ZINC95743562

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 17 Yes

CAS Number: 20289-26-3

Other Names:

MFCD00047200

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) 3.34 7.57 -13.16 0 2 0 22 223.275 3

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

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