UCSF

ZINC47156290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2010 28 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) 3.32 6.85 -22.73 2 7 0 101 416.528 7
Hi High (pH 8-9.5) 3.39 5.22 -115.05 0 7 -2 109 414.512 7
Mid Mid (pH 6-8) 3.32 6.98 -62.96 1 7 -1 103 415.52 7

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