UCSF

ZINC63245235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 22 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-indan-5-yl-acetamide 2-[(4-amino-6-oxo-5H-pyrimidin-2…

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) 0.76 4.1 -18.24 3 6 0 97 316.386 4 ↓
Hi High (pH 8-9.5) 0.76 4.15 -35.17 2 6 -1 94 315.378 4 ↓
Lo Low (pH 4.5-6) 0.76 4.52 -48.24 4 6 1 99 317.394 4 ↓

Activity (Go SEA)

Rings

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

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