UCSF

ZINC37236817

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-1-isopropyl-piperidin-4-amine N-[(R)-cyclopropyl-(4-fluorophen…

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) 3.81 9.88 -34.27 2 2 1 16 291.434 5 ↓
Lo Low (pH 4.5-6) 3.81 10.79 -111.37 3 2 2 21 292.442 5 ↓

Activity (Go SEA)

Rings

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

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