UCSF

ZINC65356294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -4.60 2.9 -28.26 1 8 1 93 250.238 0
Mid Mid (pH 6-8) -5.72 3.29 -99.66 2 8 2 95 251.246 0

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

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