UCSF

ZINC62942317

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 Yes

Popular Name: N-[[4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-pyridyl]methyl]propan-2-a N-[[4-[(9aR)-1,3,4,5,7,8,9,9a-oc…

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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) 1.99 8.81 -170.9 4 4 3 38 291.463 4 ↓
Mid Mid (pH 6-8) 1.99 6.01 -26.89 2 4 1 33 289.447 4 ↓
Mid Mid (pH 6-8) 1.99 7.62 -80.71 3 4 2 34 290.455 4 ↓

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

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