UCSF

ZINC62940339

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 No

Popular Name: [(3S)-3-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]tetrahydrothiophen-3-yl]me [(3S)-3-[(9aS)-1,3,4,5,7,8,9,9a-…

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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) 0.41 4.56 -106.46 4 3 2 35 257.447 2 ↓
Hi High (pH 8-9.5) 0.41 2.23 -45.52 3 3 1 34 256.439 2 ↓
Hi High (pH 8-9.5) 0.41 1.87 -2.07 2 3 0 32 255.431 2 ↓

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

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