UCSF

ZINC62933070

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 Yes

Popular Name: (3R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(6,7-dihydro-5H-cyclopent…

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) 1.11 9.14 -91.98 2 5 1 72 248.306 2 ↓
Hi High (pH 8-9.5) 1.11 7.93 -48.6 0 5 -1 69 246.29 2 ↓
Mid Mid (pH 6-8) 1.11 8.7 -48.56 1 5 0 70 247.298 2 ↓

Activity (Go SEA)

Rings

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

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