UCSF

ZINC36159066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 Yes

Popular Name: [[(2S)-3-benzyloxy-2-hydroxy-propyl]-cyclohexyl-amino]methylBLAHone [[(2S)-3-benzyloxy-2-hydroxy-pro…

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) 4.15 10.56 -57.07 3 6 1 80 468.643 9 ↓
Hi High (pH 8-9.5) 4.61 8.03 -54.87 2 6 0 83 467.635 9 ↓
Hi High (pH 8-9.5) 4.15 8.77 -14.48 2 6 0 78 467.635 9 ↓

Activity (Go SEA)

Rings

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