UCSF

ZINC13725676

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 No

Popular Name: (5S)-5-(2,5-dimethoxyphenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl) (5S)-5-(2,5-dimethoxyphenyl)-4-(…

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) 1.48 9.62 -84.81 1 9 0 111 482.562 9 ↓
Mid Mid (pH 6-8) 1.92 8.26 -28.88 1 9 0 107 482.562 8 ↓
Mid Mid (pH 6-8) 0.89 9.09 -30.11 0 9 0 104 482.562 9 ↓
Mid Mid (pH 6-8) 1.92 8.77 -55 2 9 1 108 483.57 8 ↓
Mid Mid (pH 6-8) 0.89 9.6 -59.55 1 9 1 105 483.57 9 ↓
Mid Mid (pH 6-8) 1.48 9.11 -72.12 0 9 -1 110 481.554 9 ↓

Activity (Go SEA)

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