UCSF

ZINC63941092

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 28 No

Popular Name: (2S)-N-(3-acetylphenyl)-2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-2-phenyl-acetamide (2S)-N-(3-acetylphenyl)-2-[(4-am…

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) 1.80 6.58 -24.56 3 7 0 114 394.456 6 ↓
Hi High (pH 8-9.5) 1.80 6.64 -45.02 2 7 -1 111 393.448 6 ↓
Lo Low (pH 4.5-6) 1.80 7 -50.72 4 7 1 116 395.464 6 ↓

Activity (Go SEA)

Rings

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

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