UCSF

ZINC66442676

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 17 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) 0.99 3.93 -23.97 3 4 1 48 231.323 1
Mid Mid (pH 6-8) 0.99 3.51 -9.3 2 4 0 47 230.315 1
Lo Low (pH 4.5-6) 0.99 5.67 -42.99 3 4 1 48 231.323 1

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

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