UCSF

ZINC62941498

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 Yes

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

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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) 0.35 1.48 -29.83 2 4 1 37 241.355 1 ↓
Mid Mid (pH 6-8) 0.35 1.76 -30.43 2 4 1 37 241.355 1 ↓
Lo Low (pH 4.5-6) 0.35 3.68 -100.96 3 4 2 38 242.363 1 ↓

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

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