UCSF

ZINC39303156

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 36 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) 4.35 10.78 -54.34 4 7 1 84 487.624 9
Hi High (pH 8-9.5) 4.53 8.43 -39.47 3 7 0 90 486.616 9

Activity (Go SEA)

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