UCSF

ZINC39267400

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 38 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) 3.86 16.34 -55.16 1 7 1 63 508.646 6
Hi High (pH 8-9.5) 3.86 14.05 -14.93 0 7 0 62 507.638 6

Activity (Go SEA)

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