UCSF

ZINC62943164

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 Yes

Popular Name: (9aR)-2-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[[(3S)-3-ethylpyrrolidin…

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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) 1.76 6.53 -79.36 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 1.76 4.95 -38.03 2 3 1 23 252.426 3 ↓
Lo Low (pH 4.5-6) 1.76 7.94 -199.09 4 3 3 25 254.442 3 ↓

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

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