UCSF

ZINC22693918

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 Yes

Popular Name: 1-(4-fluorophenyl)-N-[[(2S)-4-isobutylmorpholin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3- 1-(4-fluorophenyl)-N-[[(2S)-4-is…

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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) 2.90 7.69 -10.48 1 6 0 59 400.498 6 ↓
Mid Mid (pH 6-8) 2.90 9.77 -44.11 2 6 1 61 401.506 6 ↓

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Rings

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