UCSF

ZINC42008370

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 17 Yes

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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) 1.07 1.58 -50.15 1 5 -1 77 255.319 5
Mid Mid (pH 6-8) 1.07 1.56 -13.82 2 5 0 75 256.327 5

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Rings

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