UCSF

ZINC16754003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 31 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(4-pyridylmethyl)-5-(2-thienyl)-5H-pyrr (5S)-4-(2,3-dihydro-1,4-benzodio…

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) 1.89 7.13 -60.48 0 7 -1 92 433.465 5 ↓
Mid Mid (pH 6-8) 2.34 6.07 -29.43 1 7 0 89 434.473 4 ↓
Mid Mid (pH 6-8) 1.31 7.06 -27.46 0 7 0 86 434.473 5 ↓
Lo Low (pH 4.5-6) 2.34 6.35 -54.72 2 7 1 90 435.481 4 ↓
Lo Low (pH 4.5-6) 1.31 7.34 -54.99 1 7 1 87 435.481 5 ↓

Activity (Go SEA)

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