UCSF

ZINC44715323

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) 1.34 5.46 -37.99 3 5 1 68 271.344 5
Mid Mid (pH 6-8) 1.34 5.06 -13.85 2 5 0 67 270.336 5

Activity (Go SEA)

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