UCSF

ZINC95889674

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 21 Yes

CAS Number: 1453-97-0

Other Names:

MFCD00005631

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.52 8.99 -99.55 2 3 2 28 282.387 5
Mid Mid (pH 6-8) 3.52 6.5 -31.24 1 3 1 26 281.379 5

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

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