UCSF

ZINC62941593

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 No

Popular Name: 5-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1,3,4-thiadiazole-2-thiol 5-[(9aS)-1,3,4,5,7,8,9,9a-octahy…

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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) 1.82 7.05 -62.56 1 4 0 33 256.4 1 ↓
Mid Mid (pH 6-8) 1.82 5.36 -43.89 0 4 -1 32 255.392 1 ↓

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

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