UCSF

ZINC60021640

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-pyridylmethyl)-2,3-dihydroquinazolin-4-one (2S)-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) 3.15 9.47 -14.42 1 6 0 52 427.552 6 ↓
Mid Mid (pH 6-8) 3.15 9.92 -45.84 2 6 1 53 428.56 6 ↓
Mid Mid (pH 6-8) 3.15 11.67 -64.06 2 6 1 53 428.56 6 ↓
Lo Low (pH 4.5-6) 3.15 12.13 -112.02 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.