UCSF

ZINC69702494

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: (2S)-1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methyl-amino]-3-(4-methylpiperazin-1-yl)propan-2-ol (2S)-1-[(6-ethylthieno[2,3-d]pyr…

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) 1.59 6.14 -38.44 2 6 1 57 350.512 6 ↓
Hi High (pH 8-9.5) 1.59 3.77 -9.47 1 6 0 56 349.504 6 ↓

Activity (Go SEA)

Rings

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

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