UCSF

ZINC41863594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 23 Yes

Popular Name: 2-[(1R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4- 2-[(1R)-1-[[(1R,2S,3S)-2,3-dimet…

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 8.16 -47.01 3 4 1 62 334.509 3 ↓
Hi High (pH 8-9.5) 4.41 5.88 -38.83 2 4 0 65 333.501 3 ↓

Activity (Go SEA)

Rings

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