UCSF

ZINC20309472

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 37 No

Popular Name: (5S)-5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)-1-(3-morpholinopropyl)-5H-pyr (5S)-5-(2,5-dimethoxyphenyl)-3-h…

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) 2.54 4.49 -71.16 1 10 -1 121 511.551 10 ↓
Hi High (pH 8-9.5) 2.54 5.51 -138.38 0 10 -2 124 510.543 10 ↓
Mid Mid (pH 6-8) 2.54 6.82 -85.45 2 10 0 122 512.559 10 ↓

Activity (Go SEA)

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