UCSF

ZINC53134661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 Yes

Popular Name: (2R)-1-(4-chlorophenyl)-3-(4-pyridyl)propan-2-amine (2R)-1-(4-chlorophenyl)-3-(4-pyr…

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) 2.17 6.57 -52.3 3 2 1 41 247.749 4 ↓
Hi High (pH 8-9.5) 2.17 6.28 -6.13 2 2 0 39 246.741 4 ↓
Lo Low (pH 4.5-6) 2.17 7.03 -109.4 4 2 2 42 248.757 4 ↓

Activity (Go SEA)

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