UCSF

ZINC16805648

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 36 No

Popular Name: (5S)-4-(4-allyloxy-2-methyl-benzoyl)-5-(3,4-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5H- (5S)-4-(4-allyloxy-2-methyl-benz…

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) 3.40 11.38 -61.45 1 8 0 93 494.588 12 ↓
Mid Mid (pH 6-8) 3.85 10.96 -51.94 2 8 1 90 495.596 11 ↓
Mid Mid (pH 6-8) 2.82 11.15 -53.37 1 8 1 87 495.596 12 ↓

Activity (Go SEA)

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