UCSF

ZINC35884777

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 21 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) 4.78 10.73 -110.85 3 2 2 21 288.479 4
Hi High (pH 8-9.5) 4.78 9.29 -32.62 2 2 1 16 287.471 4
Hi High (pH 8-9.5) 4.78 8.5 -42.64 2 2 1 20 287.471 4

Activity (Go SEA)

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