UCSF

ZINC62846008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 Yes

Popular Name: 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-propyl-piperidine-4-carboxylic 1-(6,7-dihydro-5H-cyclopenta[d]p…

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) 2.27 10.16 -66.37 1 5 0 70 289.379 4 ↓
Mid Mid (pH 6-8) 2.27 9.73 -52.47 0 5 -1 69 288.371 4 ↓
Lo Low (pH 4.5-6) 2.27 8.34 -35.99 2 5 1 68 290.387 4 ↓

Activity (Go SEA)

Rings

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

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