UCSF

ZINC03640491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.61 8.25 -37.49 1 2 1 14 234.363 4
Hi High (pH 8-9.5) 3.61 5.56 -3.12 0 2 0 12 233.355 4

Activity (Go SEA)

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