UCSF

ZINC69741192

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 19 Yes

Popular Name: 7-[(1S)-1-(2-bromophenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1S)-1-(2-bromophenyl)ethyl]-…

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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) 2.04 8.2 -10.58 0 4 0 34 321.222 2 ↓
Lo Low (pH 4.5-6) 2.04 9.69 -46.7 1 4 1 35 322.23 2 ↓

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

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