UCSF

ZINC36157053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 2-[[cyclohexyl-[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothioph 2-[[cyclohexyl-[(2S)-2-hydroxy-3…

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) 3.23 8.68 -57.25 3 6 1 80 430.594 8 ↓
Hi High (pH 8-9.5) 3.69 6.23 -54.44 2 6 0 83 429.586 8 ↓
Hi High (pH 8-9.5) 3.23 6.79 -17.34 2 6 0 78 429.586 8 ↓

Activity (Go SEA)

Rings

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