UCSF

ZINC37831071

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R,2S)-2-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1R,2S)-2-[4-(5-bromo-2-pyridyl)…

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) 1.68 7.9 -54.81 0 6 -1 77 353.196 3 ↓
Lo Low (pH 4.5-6) 1.68 5.96 -17.9 1 6 0 74 354.204 3 ↓

Activity (Go SEA)

Rings

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