UCSF

ZINC36374404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 19 Yes

CAS Number: 602-85-7

Other Names:

MFCD00010029

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) 1.79 4.74 -92.69 3 3 2 39 256.349 1
Hi High (pH 8-9.5) 1.79 2.54 -30.1 2 3 1 37 255.341 1

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

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