UCSF

ZINC36160042

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 No

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Annotations

Vendors

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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) 0.19 2.34 -110.77 4 4 2 66 256.371 3
Hi High (pH 8-9.5) 0.19 -0.18 -11.09 2 4 0 63 254.355 3
Mid Mid (pH 6-8) 0.19 0.22 -53.73 3 4 1 65 255.363 3

Activity (Go SEA)

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