UCSF

ZINC60022760

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.14 10.17 -38.9 3 6 1 62 442.587 5 ↓
Lo Low (pH 4.5-6) 0.14 10 -101.49 4 6 2 63 443.595 5 ↓
Lo Low (pH 4.5-6) 0.14 12.34 -126.96 4 6 2 63 443.595 5 ↓
Lo Low (pH 4.5-6) 0.14 12.18 -227.31 5 6 3 64 444.603 5 ↓

Activity (Go SEA)

Rings

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

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