UCSF

ZINC37827663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: (1R,2R)-2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1R,2R)-2-[4-[(5-chloro-2-thieny…

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) 2.00 6.82 -48.94 0 5 -1 64 327.813 4 ↓
Mid Mid (pH 6-8) 2.00 9.05 -77.5 1 5 0 65 328.821 4 ↓
Lo Low (pH 4.5-6) 2.00 7.05 -52.58 2 5 1 62 329.829 4 ↓

Activity (Go SEA)

Rings

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