UCSF

ZINC19364530

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 Yes

Popular Name: 2-Piperazinecarboxamide, N-(2,6-dimethylphenyl)-, dihydrochloride; 2-Piperazinecarboxanilide, 2',6'-dimethyl-, dihydrochloride; LS-110783 2-Piperazinecarboxamide, N-(2,6-…

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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) 0.05 2.09 -54.12 4 4 1 58 234.323 2 ↓
Hi High (pH 8-9.5) 0.05 0.68 -9.25 3 4 0 53 233.315 2 ↓
Mid Mid (pH 6-8) 0.05 2.01 -43.61 4 4 1 58 234.323 2 ↓
Lo Low (pH 4.5-6) 0.05 3.43 -132.23 5 4 2 62 235.331 2 ↓

Activity (Go SEA)

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