UCSF

ZINC17127265

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 19 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) 2.73 8.83 -14.28 0 4 0 44 274.345 4
Lo Low (pH 4.5-6) 2.73 9.25 -29.63 1 4 1 45 275.353 4

Activity (Go SEA)

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