UCSF

ZINC37827628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Popular Name: (1S,2S)-2-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[4-[[(2S)-tetrahydrofu…

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) 0.28 4.37 -48.91 0 6 -1 73 281.332 4 ↓
Mid Mid (pH 6-8) 0.28 6.66 -67.5 1 6 0 74 282.34 4 ↓
Lo Low (pH 4.5-6) 0.28 4.66 -43.38 2 6 1 71 283.348 4 ↓

Activity (Go SEA)

Rings

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