UCSF

ZINC61322260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 16 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) -1.15 -0.62 -9.69 1 7 0 98 220.188 2
Mid Mid (pH 6-8) -0.69 -3.29 -39.18 0 7 -1 101 219.18 2

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

No pre-computed analogs available. Try a structural similarity search.