UCSF

ZINC02303387

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 25 Yes

Popular Name: (2S)-2-(4-dimethylaminophenyl)-4-hydroxy-5-methyl-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylic-ac (2S)-2-(4-dimethylaminophenyl)-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) 2.71 7.42 -9.55 2 6 0 71 359.451 5 ↓
Lo Low (pH 4.5-6) 2.77 5.83 -37.77 3 6 1 76 360.459 5 ↓
Lo Low (pH 4.5-6) 2.71 8.18 -67.93 3 6 0 72 360.459 5 ↓

Activity (Go SEA)

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