UCSF

ZINC98215082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 27 Yes

CAS Number: 979-32-8

Other Names:

MFCD00056541

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) 3.24 8.5 -44.67 4 4 1 74 372.529 4
Mid Mid (pH 6-8) 3.24 8.18 -7.74 3 4 0 73 371.521 4

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

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