UCSF

ZINC21529212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 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) 4.52 10.24 -53.85 3 5 1 67 380.493 4
Hi High (pH 8-9.5) 4.52 8.88 -64.87 1 5 -1 68 378.477 4
Mid Mid (pH 6-8) 4.52 7.85 -20.35 2 5 0 65 379.485 4

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

No pre-computed analogs available. Try a structural similarity search.