UCSF

ZINC62942421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 Yes

Popular Name: 1-[5-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-3-methyl-2-furyl]-N- 1-[5-[[(9aR)-1,3,4,5,7,8,9,9a-oc…

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Download: MOL2 SDF SMILES Flexibase

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) 1.73 6.94 -78.69 3 4 2 37 279.428 4 ↓
Hi High (pH 8-9.5) 1.73 7.35 -89.6 3 4 2 37 279.428 4 ↓
Lo Low (pH 4.5-6) 1.73 8.9 -171.61 4 4 3 39 280.436 4 ↓

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

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