UCSF

ZINC19928269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 No

Popular Name: 4-[(2R)-1-(2-dimethylaminoethyl)-4-hydroxy-5-oxo-2-(3-pyridyl)2H-pyrrole-3-carbonyl]-N,N-dimethyl-be 4-[(2R)-1-(2-dimethylaminoethyl)…

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) 0.48 5.6 -75.57 1 9 0 115 458.54 8 ↓
Hi High (pH 8-9.5) 0.48 3.05 -63.95 0 9 -1 114 457.532 8 ↓

Activity (Go SEA)

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