UCSF

ZINC20484724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 3.61 7.99 -120.43 4 3 2 41 280.456 10
Hi High (pH 8-9.5) 3.61 6.52 -44.46 3 3 1 40 279.448 10
Hi High (pH 8-9.5) 3.61 7.82 -28.14 3 3 1 40 279.448 10

Activity (Go SEA)

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