UCSF

ZINC13260026

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 31 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) 3.20 9.04 -62.3 1 8 -1 125 469.549 5
Hi High (pH 8-9.5) 3.66 6.59 -130.24 0 8 -2 128 468.541 5

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

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