UCSF

ZINC65497384

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Substance Information

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

Popular Name: (9aS)-2-[(E)-3-(2-furyl)-2-methyl-allyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aS)-2-[(E)-3-(2-furyl)-2-methy…

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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) 2.87 7.8 -31.73 1 3 1 21 261.389 3 ↓
Hi High (pH 8-9.5) 2.87 5.49 -3.85 0 3 0 20 260.381 3 ↓
Lo Low (pH 4.5-6) 2.87 9.87 -108.82 2 3 2 22 262.397 3 ↓

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

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