UCSF

ZINC54864257

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) 0.22 4.41 -45.77 3 4 1 53 268.406 1
Hi High (pH 8-9.5) 0.22 4.09 -6.05 2 4 0 51 267.398 1
Mid Mid (pH 6-8) 0.22 4.81 -96.42 4 4 2 54 269.414 1

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

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