UCSF

ZINC34935044

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Popular Name: (4E,5S)-5-(4-allyloxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(2-morpholinoethyl)pyrrolidine (4E,5S)-5-(4-allyloxyphenyl)-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) 2.99 7.07 -62.64 0 8 -1 91 477.537 10 ↓
Mid Mid (pH 6-8) 2.99 9.34 -78.35 1 8 0 93 478.545 10 ↓
Lo Low (pH 4.5-6) 2.99 8.58 -59.62 2 8 1 90 479.553 10 ↓

Activity (Go SEA)

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