UCSF

ZINC69248789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) 1.31 4.77 -41.11 3 5 1 63 282.389 3
Mid Mid (pH 6-8) 1.31 2.74 -17.89 2 5 0 61 281.381 3

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

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