UCSF

ZINC13407326

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 21 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) 2.06 4.07 -12.03 2 4 0 70 279.295 0
Hi High (pH 8-9.5) 2.06 4.84 -52.15 1 4 -1 73 278.287 0
Mid Mid (pH 6-8) 2.06 5.34 -55.36 2 4 0 74 279.295 0

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

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