UCSF

ZINC41534739

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 No

Popular Name: (2S)-4-hydroxy-1-(2-morpholinoethyl)-2-(3-nitrophenyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H- (2S)-4-hydroxy-1-(2-morpholinoet…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.85 6.72 -52.91 1 10 -1 135 467.502 7 ↓
Mid Mid (pH 6-8) 1.85 8.98 -66.48 2 10 0 136 468.51 7 ↓
Lo Low (pH 4.5-6) 1.85 8.22 -57.52 3 10 1 133 469.518 7 ↓

Activity (Go SEA)

Rings

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