UCSF

ZINC19715511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 25 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) 3.55 8.09 -41.15 2 5 1 50 379.937 4
Hi High (pH 8-9.5) 3.37 7.03 -50.65 1 5 0 56 378.929 4
Mid Mid (pH 6-8) 3.55 7.92 -50.53 2 5 1 50 379.937 4
Mid Mid (pH 6-8) 3.37 6.86 -32.93 1 5 0 56 378.929 4
Lo Low (pH 4.5-6) 3.55 10.31 -115.54 3 5 2 51 380.945 4

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