UCSF

ZINC19447983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 31 Yes

Popular Name: (2S)-6-chloro-1'-[2-(4-isopropylpiperazin-1-yl)-2-oxo-ethyl]spiro[1,3-dihydroquinazoline-2,5'-azepan (2S)-6-chloro-1'-[2-(4-isopropyl…

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) 1.44 5.16 -24.72 2 8 0 85 447.967 3 ↓
Mid Mid (pH 6-8) 1.44 7.39 -61.12 3 8 1 86 448.975 3 ↓

Activity (Go SEA)

Rings

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

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