UCSF

ZINC37084125

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 Yes

Popular Name: (1R)-N-cyclopentyl-1-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine (1R)-N-cyclopentyl-1-(4-fluoroph…

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) 2.29 7.05 -131.01 4 2 2 32 238.35 4 ↓
Mid Mid (pH 6-8) 2.29 5.18 -50.06 3 2 1 31 237.342 4 ↓

Activity (Go SEA)

Rings

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