UCSF

ZINC12536989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 30 No

Popular Name: (5R)-4-amino-5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[6,5-b (5R)-4-amino-5-(2,3-dimethoxyphe…

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) 3.76 8.4 -13.87 3 7 0 99 426.542 4 ↓
Lo Low (pH 4.5-6) 3.76 8.7 -31.81 4 7 1 101 427.55 4 ↓
Lo Low (pH 4.5-6) 3.76 4.66 -28.05 4 7 1 101 427.55 4 ↓

Activity (Go SEA)

Rings

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