UCSF

ZINC57987287

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 23 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) 1.25 3.13 -53.15 5 6 1 89 327.355 5
Hi High (pH 8-9.5) 1.25 1.01 -19.18 4 6 0 87 326.347 5

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

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