UCSF

ZINC22742601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 No

Popular Name: N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide N-[2-[(5-butyl-1,3,4-thiadiazol-…

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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) 2.30 6.2 -22.88 2 9 0 130 363.399 8 ↓
Hi High (pH 8-9.5) 2.12 5.14 -43.81 1 9 -1 136 362.391 8 ↓

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

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