UCSF

ZINC36159751

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

Popular Name: [cyclopropyl-[(2S)-2-hydroxy-3-phenoxy-propyl]amino]methylBLAHone [cyclopropyl-[(2S)-2-hydroxy-3-p…

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) 2.71 9.22 -53.77 3 6 1 80 412.535 8 ↓
Hi High (pH 8-9.5) 3.17 6.2 -55.09 2 6 0 83 411.527 8 ↓
Hi High (pH 8-9.5) 2.71 7.04 -15.5 2 6 0 78 411.527 8 ↓

Activity (Go SEA)

Rings

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