UCSF

ZINC17162544

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 33 No

Popular Name: 4-[(E)-[(2S)-2-(4-chlorophenyl)-1-(3-methoxypropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-hydroxy-methyl]- 4-[(E)-[(2S)-2-(4-chlorophenyl)-…

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) 2.62 6.97 -56.36 0 8 -1 107 491.973 9 ↓
Mid Mid (pH 6-8) 3.07 7.14 -17.04 1 8 0 104 492.981 8 ↓
Mid Mid (pH 6-8) 2.04 7.13 -16.96 0 8 0 101 492.981 9 ↓

Activity (Go SEA)

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