UCSF

ZINC10120828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2007 13 Yes

Popular Name: N-isopropyl-3-phenylpropan-1-amine N-isopropyl-3-phenylpropan-1-amine

Find On: PubMed — Wikipedia — Google

CAS Number: 87462-11-1

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) 3.09 0.55 -36.55 2 1 1 16 178.299 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5866702 IBM Patent Data

Activity (Go SEA)

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