UCSF

ZINC71575238

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 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) 2.65 10.58 -13.18 1 4 0 46 317.392 4
Mid Mid (pH 6-8) 2.65 11.08 -34.67 2 4 1 48 318.4 4

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

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