UCSF

ZINC53335654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 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) 2.45 4.58 -45.88 2 2 1 29 223.346 1
Mid Mid (pH 6-8) 2.45 3.2 -6.08 1 2 0 25 222.338 1

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

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