UCSF

ZINC08921252

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: ethyl 4-({2-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate ethyl 4-({2-(3-chlorophenyl)-1-[…

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) 2.95 10.54 -66.94 2 8 0 107 473.957 9 ↓
Hi High (pH 8-9.5) 2.95 8.08 -49.87 1 8 -1 106 472.949 9 ↓
Mid Mid (pH 6-8) 3.40 10.13 -48.29 3 8 1 104 474.965 8 ↓
Mid Mid (pH 6-8) 2.37 10.62 -52.34 2 8 1 101 474.965 9 ↓

Activity (Go SEA)

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