UCSF

ZINC40907908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 21 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) 3.80 6.97 -6.98 3 4 0 64 279.343 3
Mid Mid (pH 6-8) 3.80 7.1 -29.3 4 4 1 65 280.351 3

Activity (Go SEA)

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