UCSF

ZINC31913615

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 4.11 8.05 -13.66 1 4 0 47 310.397 5
Mid Mid (pH 6-8) 4.11 8.47 -27.16 2 4 1 48 311.405 5

Activity (Go SEA)

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