UCSF

ZINC22742694

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 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) 3.60 7.24 -50.9 1 11 -1 158 490.543 10
Hi High (pH 8-9.5) 3.67 6.35 -96.33 0 11 -2 165 489.535 10
Mid Mid (pH 6-8) 3.60 7.21 -25.49 2 11 0 156 491.551 10

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

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