UCSF

ZINC21529578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 Yes

Popular Name: (2S)-4-acetyl-N-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazine-2- (2S)-4-acetyl-N-(5-benzyl-6,7-di…

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) 2.84 11.85 -61.2 2 7 1 76 449.556 4 ↓
Hi High (pH 8-9.5) 3.02 10.76 -58.66 1 7 0 82 448.548 4 ↓
Mid Mid (pH 6-8) 2.84 9.45 -24.18 1 7 0 75 448.548 4 ↓

Activity (Go SEA)

Rings

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

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