UCSF

ZINC65540506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 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) 0.08 5 -13.22 0 9 0 85 344.423 5
Mid Mid (pH 6-8) 0.08 5.42 -43.64 1 9 1 86 345.431 5
Mid Mid (pH 6-8) 0.08 7.21 -59.43 1 9 1 86 345.431 5

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

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