UCSF

ZINC38196054

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 29 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) 5.42 11.15 -46.29 2 5 1 64 459.36 4
Hi High (pH 8-9.5) 5.42 11.93 -33.49 1 5 0 67 458.352 4

Activity (Go SEA)

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