UCSF

ZINC38599580

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 Yes

CAS Numbers: 13343-61-8 , n / a

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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) 1.57 5.25 -12.17 2 7 0 86 399.443 5

Activity (Go SEA)

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