UCSF

ZINC20263361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 0.46 3.22 -46.05 5 5 1 89 287.339 6
Hi High (pH 8-9.5) 0.46 2.89 -14.7 4 5 0 88 286.331 6

Activity (Go SEA)

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