UCSF

ZINC37504771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 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) 1.60 4.7 -42.31 3 3 1 48 215.361 5
Hi High (pH 8-9.5) 1.60 4.38 -7.25 2 3 0 46 214.353 5

Activity (Go SEA)

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