UCSF

ZINC58133165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 30 Yes

Popular Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamid N-[2-[4-(2,3-dimethylphenyl)pipe…

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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) 1.64 9.21 -21.31 1 8 0 75 408.506 6 ↓
Mid Mid (pH 6-8) 1.64 9.21 -46.92 2 8 1 76 409.514 6 ↓

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

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