UCSF

ZINC36865384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.18 7.88 -9.1 1 5 0 46 256.375 2
Mid Mid (pH 6-8) 1.91 8.19 -41.8 0 5 -1 43 255.367 2

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

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