UCSF

ZINC05931125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 4.54 10.8 -124.24 4 4 2 46 383.58 5
Mid Mid (pH 6-8) 4.54 8.61 -48.16 3 4 1 45 382.572 5

Activity (Go SEA)

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