UCSF

ZINC65564129

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 Yes

Popular Name: (9aR)-2-[3-(4-methoxyphenoxy)propyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[3-(4-methoxyphenoxy)pro…

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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) 2.90 7.78 -33.49 1 4 1 26 305.442 6 ↓
Hi High (pH 8-9.5) 2.90 6.22 -5.15 0 4 0 25 304.434 6 ↓
Lo Low (pH 4.5-6) 2.90 9.7 -108.96 2 4 2 27 306.45 6 ↓

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

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