UCSF

ZINC57911427

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.60 5.01 -8.58 1 4 0 36 359.486 7
Lo Low (pH 4.5-6) 3.60 7.14 -36.59 2 4 1 37 360.494 7

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

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