UCSF

ZINC21784115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 Yes

Popular Name: (5S)-5-(4-ethoxy-3-methoxy-phenyl)-2-prop-2-ynylsulfanyl-3,5,6,8-tetrahydropyrido[5,6-e]pyrimidine-4 (5S)-5-(4-ethoxy-3-methoxy-pheny…

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) 2.26 6.8 -15.54 2 7 0 93 385.445 6 ↓
Mid Mid (pH 6-8) 2.72 5.68 -43.85 1 7 -1 96 384.437 6 ↓

Activity (Go SEA)

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