UCSF

ZINC62801432

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 18 Yes

Popular Name: 4-isopropyl-5-(2-piperazin-1-ylethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(2-piperazin-1-yle…

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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) 0.25 4.86 -45.78 4 6 1 77 271.414 5 ↓
Hi High (pH 8-9.5) 0.25 3.5 -10.67 3 6 0 72 270.406 5 ↓

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

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