UCSF

ZINC34697122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 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) 2.97 7.85 -109.72 3 2 2 21 250.361 3
Hi High (pH 8-9.5) 2.97 6.39 -32.61 2 2 1 16 249.353 3
Hi High (pH 8-9.5) 2.97 5.45 -43.09 2 2 1 20 249.353 3

Activity (Go SEA)

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