UCSF

ZINC29568972

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 44 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) 8.45 15.19 -53.72 4 6 1 83 605.884 17
Hi High (pH 8-9.5) 8.45 13.07 -12.64 3 6 0 82 604.876 17

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