UCSF

ZINC22738715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 0.83 3.17 -32.56 2 7 0 101 338.414 5
Hi High (pH 8-9.5) 0.90 2.34 -112.34 0 7 -2 109 336.398 5
Mid Mid (pH 6-8) 0.83 3.25 -60.48 1 7 -1 103 337.406 5

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

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