UCSF

ZINC62319518

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 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) 0.71 4.06 -33.93 2 5 1 58 262.381 5
Hi High (pH 8-9.5) 0.71 3.6 -9.5 1 5 0 57 261.373 5
Mid Mid (pH 6-8) 0.71 4.91 -94.7 3 5 2 63 263.389 5

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

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