UCSF

ZINC49282725

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 2.00 4.23 -41.57 2 4 1 51 289.446 4
Hi High (pH 8-9.5) 2.00 1.82 -8.4 1 4 0 49 288.438 4
Hi High (pH 8-9.5) 2.00 4.06 -37.23 1 4 0 53 288.438 4

Activity (Go SEA)

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