UCSF

ZINC39748429

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 23 No

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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) 1.45 4.66 -15.36 2 9 0 126 337.361 8
Mid Mid (pH 6-8) 1.45 4.46 -45.9 1 9 -1 124 336.353 8

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