UCSF

ZINC62942423

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Substance Information

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

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

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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) 0.23 4.7 -83.45 3 6 2 55 280.42 5 ↓
Hi High (pH 8-9.5) 0.23 3.14 -42.64 2 6 1 54 279.412 5 ↓
Lo Low (pH 4.5-6) 0.23 6.62 -178.11 4 6 3 56 281.428 5 ↓

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

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