UCSF

ZINC12536992

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 28 No

Popular Name: (5S)-4-amino-5-(2-methoxyphenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[6,5-b]qui (5S)-4-amino-5-(2-methoxyphenyl)…

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) 3.95 8.99 -12.79 3 6 0 90 396.516 3 ↓
Lo Low (pH 4.5-6) 3.95 9.28 -32.95 4 6 1 91 397.524 3 ↓
Lo Low (pH 4.5-6) 3.95 5.25 -28.43 4 6 1 91 397.524 3 ↓

Activity (Go SEA)

Rings

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