UCSF

ZINC49917598

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 40 No

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) 3.56 8.84 -70.92 5 8 1 115 565.76 13
Hi High (pH 8-9.5) 3.56 7.49 -24.07 4 8 0 111 564.752 13

Activity (Go SEA)

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