UCSF

ZINC40113767

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 No

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Annotations

Vendors

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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) 5.75 14.36 -12.46 1 6 0 82 477.63 8
Hi High (pH 8-9.5) 5.94 12.82 -50.19 0 6 -1 89 476.622 8

Activity (Go SEA)

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