UCSF

ZINC23247792

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 27 Yes

Popular Name: N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(2-pyridylmethyl)ethane-1,2-diami N'-[[1-[(2-fluorophenyl)methyl]p…

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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) 2.93 10.53 -40.09 1 4 1 26 367.492 9 ↓
Hi High (pH 8-9.5) 2.93 9.32 -9.32 0 4 0 24 366.484 9 ↓
Mid Mid (pH 6-8) 2.93 11.71 -48.93 1 4 1 26 367.492 9 ↓
Mid Mid (pH 6-8) 2.93 12.47 -104.36 2 4 2 27 368.5 9 ↓

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