UCSF

ZINC00907970

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 32 No

Popular Name: 4-[[1-(2-dimethylaminoethyl)-4-hydroxy-5-oxo-2-(3-pyridyl)-2H-pyrrol-3-yl]carbonyl]-N,N-dimethyl-ben 4-[[1-(2-dimethylaminoethyl)-4-h…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.48 -4.29 -53.91 2 9 1 112 459.548 8 ↓
Mid Mid (pH 6-8) -0.10 -4.4 -64.52 1 9 1 109 459.548 8 ↓
Lo Low (pH 4.5-6) 0.48 -4.18 -114.05 3 9 2 113 460.556 8 ↓
Lo Low (pH 4.5-6) -0.10 -4.28 -128.01 2 9 2 110 460.556 8 ↓

Activity (Go SEA)

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