UCSF

ZINC72190322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2012 28 Yes

CAS Number: 41639-83-2

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) 3.43 7.03 -50.25 3 5 -1 101 389.512 12
Lo Low (pH 4.5-6) 3.43 5.05 -10.45 4 5 0 98 390.52 12

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

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