UCSF

ZINC65513696

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 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) 1.85 9.76 -50.31 1 5 1 43 329.399 3
Mid Mid (pH 6-8) 1.85 7.9 -36.44 1 5 1 43 329.399 3
Mid Mid (pH 6-8) 1.85 7.49 -7.8 0 5 0 41 328.391 3
Mid Mid (pH 6-8) 1.85 10.19 -114.2 2 5 2 44 330.407 3

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

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