UCSF

ZINC59099914

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 37 No

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Annotations

Vendors

    None

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) 3.05 5.37 -52.17 1 10 -1 144 551.711 8
Hi High (pH 8-9.5) 3.63 5.48 -220.19 0 10 -3 152 549.695 8
Mid Mid (pH 6-8) 3.05 4.98 -50.3 1 10 -1 144 551.711 8
Mid Mid (pH 6-8) 3.63 5.77 -109.84 1 10 -2 150 550.703 8
Lo Low (pH 4.5-6) 3.05 5.35 -25.78 2 10 0 142 552.719 8

Activity (Go SEA)

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