UCSF

ZINC54822035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 Yes

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) -0.31 4.86 -40.04 3 5 1 63 246.338 3
Lo Low (pH 4.5-6) -0.31 5.3 -106.9 4 5 2 64 247.346 3

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

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