UCSF

ZINC53518851

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 27 Yes

Popular Name: N-(4-methylcyclohexyl)-4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxamide N-(4-methylcyclohexyl)-4-[(5-oxo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.60 7.4 -43.43 2 7 1 71 390.533 3 ↓
Hi High (pH 8-9.5) 2.60 7.59 -16.3 1 7 0 70 389.525 3 ↓
Mid Mid (pH 6-8) 2.60 9.7 -123.24 3 7 2 72 391.541 3 ↓
Lo Low (pH 4.5-6) 2.60 9.85 -54.26 2 7 1 71 390.533 3 ↓

Activity (Go SEA)

Rings

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

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