UCSF

ZINC20160721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 Yes

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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) 3.52 9.16 -114.14 3 2 2 21 262.441 2
Hi High (pH 8-9.5) 3.52 6.74 -37.94 2 2 1 20 261.433 2
Hi High (pH 8-9.5) 3.52 8.33 -33.99 2 2 1 16 261.433 2

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