UCSF

ZINC00000721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 17 Yes

CAS Number: 446-95-7

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Annotations

None

Vendors

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) 2.90 9.7 0.05 2 2 0 9 236.403 0
Hi High (pH 8-9.5) 2.90 9.31 -25.21 1 2 1 8 235.395 0

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