UCSF

ZINC43461349

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 3.63 9.38 -39.37 2 3 1 29 285.411 4
Hi High (pH 8-9.5) 3.63 7.94 -4.97 1 3 0 24 284.403 4

Activity (Go SEA)

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