UCSF

ZINC98175577

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2014 14 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) 2.74 6.28 -4.17 0 2 0 16 192.306 3
Mid Mid (pH 6-8) 2.74 6.75 -26.83 1 2 1 17 193.314 3

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

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