UCSF

ZINC23366664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 Yes

Popular Name: (2S)-N,N-dimethyl-1-[[4-(4-oxo-6-propyl-3H-pyrimidin-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide (2S)-N,N-dimethyl-1-[[4-(4-oxo-6…

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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) 2.19 9.68 -48.42 2 6 1 70 369.489 6 ↓
Hi High (pH 8-9.5) 2.19 7.47 -16.16 1 6 0 69 368.481 6 ↓
Hi High (pH 8-9.5) 2.65 6.56 -57.76 0 6 -1 72 367.473 6 ↓

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

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