UCSF

ZINC27646928

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 28 Yes

Popular Name: 1,1'-(1,1'-Biphenyl)-4,4'-diylbis(2-(1-pyrrolidinyl)ethanone) dihydrobromide; 4,4'-Bis(pyrrolidinoacetyl)biphenyl dihydrobromide; Ethanone, 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2-(1-pyrrolidinyl)-, dihydrobromide; LS-67159 1,1'-(1,1'-Biphenyl)-4,4'-diylbi…

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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) 3.64 13.95 -84.58 2 4 2 43 378.516 7 ↓
Hi High (pH 8-9.5) 3.64 11.47 -45.55 1 4 1 42 377.508 7 ↓
Hi High (pH 8-9.5) 3.64 8.95 -11.86 0 4 0 41 376.5 7 ↓

Activity (Go SEA)

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