UCSF

ZINC69892518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)m [4-[(1-methylimidazol-2-yl)methy…

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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) 0.38 6.69 -37.19 2 7 1 71 329.428 3 ↓
Hi High (pH 8-9.5) 0.38 6.72 -15.08 1 7 0 70 328.42 3 ↓
Lo Low (pH 4.5-6) 0.38 8 -49.31 2 7 1 71 329.428 3 ↓

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

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