UCSF

ZINC62940950

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 No

Popular Name: 3-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N'-hydroxy-pyridine-2-c 3-[[(9aR)-1,3,4,5,7,8,9,9a-octah…

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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) -0.22 2.87 -37.44 4 6 1 79 290.391 3 ↓
Hi High (pH 8-9.5) -0.22 0.31 -7.74 3 6 0 78 289.383 3 ↓
Mid Mid (pH 6-8) -0.22 1.89 -36.31 4 6 1 79 290.391 3 ↓
Lo Low (pH 4.5-6) -0.22 4.42 -108.83 5 6 2 80 291.399 3 ↓

Activity (Go SEA)

Rings

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

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