UCSF

ZINC41214223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 15 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) 0.03 1.62 -104.53 5 3 2 47 207.321 3
Hi High (pH 8-9.5) 0.03 0.27 -44.64 4 3 1 43 206.313 3

Activity (Go SEA)

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