UCSF

ZINC52424401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.05 9.62 -172.77 4 4 3 39 296.479 5
Hi High (pH 8-9.5) 2.05 7.6 -87.8 3 4 2 37 295.471 5
Hi High (pH 8-9.5) 2.05 7.58 -77.1 3 4 2 37 295.471 5
Hi High (pH 8-9.5) 2.05 5.6 -33.97 2 4 1 36 294.463 5

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

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