UCSF

ZINC62599185

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 21 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide (2S)-2-(cyclopropylamino)-4-[(4-…

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) 2.15 3.02 -51.73 5 6 1 105 311.431 9 ↓
Mid Mid (pH 6-8) 2.61 1.08 -54.19 4 6 0 109 310.423 9 ↓

Activity (Go SEA)

Rings

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

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