UCSF

ZINC54128781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 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) 2.64 6.25 -40.87 4 5 1 69 280.392 8
Hi High (pH 8-9.5) 2.64 3.75 -4.78 3 5 0 68 279.384 8

Activity (Go SEA)

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