UCSF

ZINC33817355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 4.53 13.53 -18.33 1 9 0 108 523.64 11
Hi High (pH 8-9.5) 4.71 12.46 -44.31 0 9 -1 115 522.632 11

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

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