UCSF

ZINC62942141

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 Yes

Popular Name: [(3S)-3-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]tetrahydrofuran-3- [(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) 0.45 1.24 -34.72 2 4 1 37 255.382 3 ↓
Hi High (pH 8-9.5) 0.45 -1.1 -4.91 1 4 0 36 254.374 3 ↓
Lo Low (pH 4.5-6) 0.45 4.13 -112.75 3 4 2 38 256.39 3 ↓

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

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