UCSF

ZINC69944549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 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) 1.75 5.57 -111.18 4 2 2 32 198.354 3
Hi High (pH 8-9.5) 1.75 3.78 -43.54 3 2 1 31 197.346 3
Mid Mid (pH 6-8) 1.75 5.3 -25.9 3 2 1 30 197.346 3

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

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