UCSF

ZINC60022755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 32 Yes

Popular Name: (2R)-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-pyridylmethyl)-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-phenylpiperazin-1-y…

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) 3.27 9.16 -10.98 1 6 0 52 427.552 6 ↓
Mid Mid (pH 6-8) 3.27 11.39 -60.18 2 6 1 53 428.56 6 ↓
Lo Low (pH 4.5-6) 3.27 11.76 -117.38 3 6 2 54 429.568 6 ↓

Activity (Go SEA)

Rings

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

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