UCSF

ZINC60022082

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 33 No

Popular Name: 1-[(1S)-2-[4-(2-aminophenyl)piperazin-1-yl]-1-methyl-ethyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-o 1-[(1S)-2-[4-(2-aminophenyl)pipe…

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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) 0.17 10.27 -32.36 3 6 1 62 442.587 5 ↓
Lo Low (pH 4.5-6) 0.17 12.16 -188.38 5 6 3 64 444.603 5 ↓
Lo Low (pH 4.5-6) 0.17 10.1 -82.07 4 6 2 63 443.595 5 ↓
Lo Low (pH 4.5-6) 0.17 12.32 -102.38 4 6 2 63 443.595 5 ↓

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

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