UCSF

ZINC31978409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 2.46 6.21 -32.88 3 3 1 40 235.351 3
Hi High (pH 8-9.5) 2.46 3.72 -5.78 2 3 0 38 234.343 3

Activity (Go SEA)

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