UCSF

ZINC03628851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 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) 4.49 9.89 -38.17 1 2 1 14 262.417 6
Hi High (pH 8-9.5) 4.49 7.3 -2.7 0 2 0 12 261.409 6

Activity (Go SEA)

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