UCSF

ZINC12032485

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 20 No

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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) 5.17 7.9 -8.16 1 3 0 45 320.826 2
Hi High (pH 8-9.5) 5.63 6.5 -40.34 0 3 -1 48 319.818 2
Hi High (pH 8-9.5) 5.63 6.06 -43.36 0 3 -1 48 319.818 2

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