UCSF

ZINC31830262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 23 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) 4.26 7.1 -62.32 4 4 1 66 311.405 4
Hi High (pH 8-9.5) 4.26 6.75 -9.84 3 4 0 64 310.397 4

Activity (Go SEA)

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