UCSF

ZINC13566322

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 18 Yes

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Annotations

Vendors

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) 1.21 1.29 -12.34 3 9 0 123 249.234 3
Mid Mid (pH 6-8) 1.66 -0.2 -47.69 2 9 -1 126 248.226 3

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