UCSF

ZINC00537797

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 33 Yes

CAS Number: 74680-07-2

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) 2.99 7.4 -25.27 3 9 0 120 473.599 7
Lo Low (pH 4.5-6) 2.99 7.71 -46.75 4 9 1 122 474.607 7

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

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