UCSF

ZINC20237947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 No

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) 4.57 10.52 -7.88 0 4 0 47 367.518 2
Lo Low (pH 4.5-6) 4.57 12.7 -45.02 1 4 1 49 368.526 2

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

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