UCSF

ZINC34850321

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 5.12 7.15 -8.16 1 5 0 57 358.825 5
Mid Mid (pH 6-8) 5.12 7.26 -32.85 2 5 1 58 359.833 5

Activity (Go SEA)

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