UCSF

ZINC31830259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 22 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) 2.40 3.41 -58.2 4 5 1 69 304.414 3
Hi High (pH 8-9.5) 2.40 3.04 -6.42 3 5 0 68 303.406 3

Activity (Go SEA)

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