UCSF

ZINC27911088

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 20 No

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) 4.43 5.3 -47.39 4 3 1 57 278.416 6
Hi High (pH 8-9.5) 4.43 4.22 -8.41 3 3 0 52 277.408 6

Activity (Go SEA)

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