UCSF

ZINC06291322

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 25 No

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) 1.89 6.59 -15.14 2 8 0 105 349.387 5
Hi High (pH 8-9.5) 2.08 4.14 -54.25 1 8 -1 111 348.379 5

Activity (Go SEA)

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