UCSF

ZINC35027810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 3.93 10.77 -43.18 2 4 1 47 327.448 4
Hi High (pH 8-9.5) 3.93 9.07 -7.82 1 4 0 45 326.44 4

Activity (Go SEA)

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