UCSF

ZINC31560564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 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) 4.34 12.59 -50.92 2 4 1 36 409.557 4
Mid Mid (pH 6-8) 4.34 10.28 -7.39 1 4 0 35 408.549 4

Activity (Go SEA)

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