UCSF

ZINC57992661

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 29 Yes

Popular Name: N-ethyl-N-[4-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methy N-ethyl-N-[4-[[4-(6,7,8,9-tetrah…

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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) 0.98 7.42 -24.25 0 8 0 70 417.583 6 ↓
Mid Mid (pH 6-8) 0.98 9.67 -52 1 8 1 72 418.591 6 ↓
Lo Low (pH 4.5-6) 0.98 9.61 -48.51 1 8 1 72 418.591 6 ↓

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

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