UCSF

ZINC39849092

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 No

Popular Name: (2S)-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol- (2S)-2-(2,5-dimethoxyphenyl)-4-h…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.67 8.5 -51.63 0 8 -1 91 477.537 9 ↓
Mid Mid (pH 6-8) 2.67 10.76 -56.86 1 8 0 93 478.545 9 ↓
Lo Low (pH 4.5-6) 2.67 10 -43.76 2 8 1 90 479.553 9 ↓

Activity (Go SEA)

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