UCSF

ZINC54895589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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 4.81 -45.37 3 4 1 53 282.433 1
Hi High (pH 8-9.5) 0.71 4.49 -5.54 2 4 0 51 281.425 1
Mid Mid (pH 6-8) 0.71 3.92 -23.08 3 4 1 53 282.433 1
Mid Mid (pH 6-8) 0.71 4.25 -99.53 4 4 2 54 283.441 1

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

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