UCSF

ZINC60022478

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 35 Yes

Popular Name: (2S)-6-amino-1-[(1S)-1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-o (2S)-6-amino-1-[(1S)-1-methyl-2-…

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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) 3.72 11.43 -44.17 4 6 1 66 470.641 7 ↓
Hi High (pH 8-9.5) 3.72 9.17 -12.82 3 6 0 65 469.633 7 ↓
Mid Mid (pH 6-8) 3.72 11.5 -48.73 4 6 1 66 470.641 7 ↓

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

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