UCSF

ZINC52486083

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 22 Yes

Popular Name: (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-(tetrazolo[5,1-f]pyridazin-6-yl)ethane-1,2-diamine (1S)-1-(4-fluorophenyl)-N,N-dime…

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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) 1.87 6.59 -60.23 2 7 1 72 302.337 5 ↓
Mid Mid (pH 6-8) 1.87 4.06 -16.52 1 7 0 71 301.329 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.