UCSF

ZINC60021941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 34 Yes

Popular Name: (2S)-1-[(1R)-1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1R)-1-methyl-2-(4-phene…

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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) 4.67 13.54 -53.48 2 5 1 40 455.626 7 ↓
Hi High (pH 8-9.5) 4.67 11.27 -10.42 1 5 0 39 454.618 7 ↓
Mid Mid (pH 6-8) 4.67 13.31 -58.04 2 5 1 40 455.626 7 ↓

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

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