UCSF

ZINC26522151

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 Yes

CAS Numbers: 1314402-61-3 , 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) 2.62 6.87 -53.63 0 2 -1 40 193.266 1
Mid Mid (pH 6-8) 2.62 5.76 -6.55 1 2 0 37 194.274 1

Activity (Go SEA)

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