UCSF

ZINC53134713

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-1-(4-bromophenyl)-3-(4-pyridyl)propan-2-amine (2S)-1-(4-bromophenyl)-3-(4-pyri…

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) 2.30 6.68 -52.44 3 2 1 41 292.2 4 ↓
Hi High (pH 8-9.5) 2.30 6.38 -6.21 2 2 0 39 291.192 4 ↓
Lo Low (pH 4.5-6) 2.30 7.13 -109.66 4 2 2 42 293.208 4 ↓

Activity (Go SEA)

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