UCSF

ZINC54647720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 33 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) 2.29 5.94 -59.05 1 9 -1 128 489.599 7
Mid Mid (pH 6-8) 3.21 6.5 -24.83 2 9 0 129 490.607 6

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

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