UCSF

ZINC40870887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 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) 6.74 15.42 -14.67 1 4 0 51 456.611 7
Hi High (pH 8-9.5) 6.92 12.86 -46.73 0 4 -1 58 455.603 7

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

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