UCSF

ZINC39917288

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 26 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) 6.12 14.17 -35.98 1 3 1 22 354.562 5
Hi High (pH 8-9.5) 6.12 12.23 -7.32 0 3 0 21 353.554 5
Lo Low (pH 4.5-6) 6.12 14.92 -101.29 2 3 2 24 355.57 5

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