UCSF

ZINC62580116

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 26 Yes

Popular Name: N-[3-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-oxo-propyl]-2,5-dimethyl-b N-[3-[(9aS)-1,3,4,5,7,8,9,9a-oct…

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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) 2.00 7.62 -46.93 2 6 1 71 380.534 5 ↓
Hi High (pH 8-9.5) 2.00 5.77 -15.18 1 6 0 70 379.526 5 ↓

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

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