UCSF

ZINC33060473

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2009 33 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) 4.38 7.74 -17.57 2 7 0 88 467.591 10
Hi High (pH 8-9.5) 4.38 7.81 -46.14 1 7 -1 90 466.583 10

Activity (Go SEA)

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