UCSF

ZINC60708687

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 20 Yes

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

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) 2.65 8.36 -48.49 3 2 1 41 263.364 4 ↓
Hi High (pH 8-9.5) 2.65 8.07 -6.87 2 2 0 39 262.356 4 ↓
Lo Low (pH 4.5-6) 2.65 8.82 -107.19 4 2 2 42 264.372 4 ↓

Activity (Go SEA)

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