UCSF

ZINC13426745

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 24 No

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) 4.25 6.26 -17.76 2 7 0 115 473.102 3
Hi High (pH 8-9.5) 4.25 6.3 -40.91 1 7 -1 112 472.094 3

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

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