UCSF

ZINC60021900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 33 Yes

Popular Name: (2S)-2-(4-aminophenyl)-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-aminophenyl)-1-[2-(4-h…

Find On: PubMed — Wikipedia — Google

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) 3.15 9.62 -59.51 5 6 1 83 443.571 5 ↓
Hi High (pH 8-9.5) 3.15 7.38 -12.79 4 6 0 82 442.563 5 ↓

Activity (Go SEA)

Rings

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

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