UCSF

ZINC22742901

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 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) 4.43 7.86 -53.91 1 7 -1 103 467.955 8
Mid Mid (pH 6-8) 4.43 7.79 -24.71 2 7 0 101 468.963 8
Mid Mid (pH 6-8) 4.50 6.95 -102.95 0 7 -2 109 466.947 8

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

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