UCSF

ZINC40111790

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 1.37 4.85 -63.13 1 11 -1 164 500.509 8
Lo Low (pH 4.5-6) 1.37 4.08 -20.43 2 11 0 161 501.517 8

Activity (Go SEA)

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