UCSF

ZINC62983433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 Yes

Popular Name: 4-[(3S)-1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine 4-[(3S)-1-(4-chloro-6-ethoxy-1,3…

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) 2.41 3.22 -6.55 0 7 0 64 313.789 4 ↓
Mid Mid (pH 6-8) 2.41 5.43 -43.9 1 7 1 65 314.797 4 ↓

Activity (Go SEA)

Rings

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

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