UCSF

ZINC46735437

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 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) 2.26 7.95 -43.8 2 5 1 54 338.497 5
Mid Mid (pH 6-8) 2.26 6.05 -9.36 1 5 0 53 337.489 5

Activity (Go SEA)

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