UCSF

ZINC40870703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 Yes

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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) 6.88 14.39 -17.09 1 4 0 51 493.426 6
Hi High (pH 8-9.5) 7.07 11.87 -47.05 0 4 -1 58 492.418 6

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

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