UCSF

ZINC25435973

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 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) 2.49 7.21 -41.06 2 7 1 83 321.401 5
Hi High (pH 8-9.5) 2.49 5 -7.77 1 7 0 81 320.393 5
Mid Mid (pH 6-8) 2.49 7.28 -37.78 2 7 1 83 321.401 5

Activity (Go SEA)

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