UCSF

ZINC37383321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 27 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) 4.40 13.66 -44.67 0 5 -1 69 382.871 8
Lo Low (pH 4.5-6) 4.40 14.2 -49.56 1 5 0 70 383.879 8

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

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