UCSF

ZINC16734441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 No

Popular Name: (5R)-4-(4-allyloxybenzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-o (5R)-4-(4-allyloxybenzoyl)-5-(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) 3.26 9.83 -61.66 0 8 -1 101 499.543 11 ↓
Mid Mid (pH 6-8) 3.71 8.75 -28.27 1 8 0 98 500.551 10 ↓
Mid Mid (pH 6-8) 2.68 9.78 -24.31 0 8 0 95 500.551 11 ↓
Lo Low (pH 4.5-6) 3.71 9.06 -55.35 2 8 1 99 501.559 10 ↓
Lo Low (pH 4.5-6) 2.68 10.08 -56.2 1 8 1 96 501.559 11 ↓

Activity (Go SEA)

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