UCSF

ZINC34561060

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 4.43 9.81 -13.84 1 5 0 60 356.362 7
Lo Low (pH 4.5-6) 4.43 10.24 -29.06 2 5 1 62 357.37 7

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

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