UCSF

ZINC35498834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 Yes

Popular Name: [(2S)-3-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholinoethyl)amino]-2-hydroxy-propyl] [(2S)-3-[[1-[(2-fluorophenyl)met…

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) 2.90 9.99 -49.38 2 7 1 68 462.586 14 ↓
Hi High (pH 8-9.5) 2.90 8.59 -10.67 1 7 0 67 461.578 14 ↓
Lo Low (pH 4.5-6) 2.90 10.83 -46.78 2 7 1 68 462.586 14 ↓

Activity (Go SEA)

Rings

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