UCSF

ZINC31914285

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) 4.63 9.8 -10.26 1 3 0 38 308.425 4
Mid Mid (pH 6-8) 4.63 10.22 -25.95 2 3 1 39 309.433 4

Activity (Go SEA)

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