UCSF

ZINC08063347

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 24 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) 4.15 9.76 -32.52 1 4 1 36 343.834 5
Hi High (pH 8-9.5) 4.15 9.33 -8.11 0 4 0 35 342.826 5

Activity (Go SEA)

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