UCSF

ZINC31916037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 5.15 11.69 -13.31 0 4 0 50 331.419 5
Mid Mid (pH 6-8) 5.15 12.13 -33.21 1 4 1 52 332.427 5

Activity (Go SEA)

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