UCSF

ZINC37827750

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-(4-pyridylmethyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1R,2R)-2-[4-(4-pyridylmethyl)pi…

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) 0.01 5.26 -50.27 0 6 -1 77 288.327 4 ↓
Mid Mid (pH 6-8) 0.01 7.49 -79.49 1 6 0 78 289.335 4 ↓
Lo Low (pH 4.5-6) 0.01 5.49 -54.6 2 6 1 75 290.343 4 ↓

Activity (Go SEA)

Rings

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