UCSF

ZINC71524390

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 23 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) 2.32 8.62 -16.44 0 5 0 47 313.401 2
Mid Mid (pH 6-8) 2.32 9.12 -31.72 1 5 1 48 314.409 2

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

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