UCSF

ZINC62941888

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 No

Popular Name: [4-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]thiadiazol-5-yl]hydrazi [4-[[(9aS)-1,3,4,5,7,8,9,9a-octa…

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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) 0.49 1.77 -36.57 4 6 1 72 269.398 3 ↓
Hi High (pH 8-9.5) 0.49 -0.38 -7.88 3 6 0 70 268.39 3 ↓
Lo Low (pH 4.5-6) 0.49 1.6 -104.5 5 6 2 73 270.406 3 ↓

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

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