UCSF

ZINC41644412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 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) 2.01 5.88 -18.79 2 6 0 88 361.448 3
Hi High (pH 8-9.5) 2.20 4.4 -43.44 1 6 -1 94 360.44 3

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

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