UCSF

ZINC20615720

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 No

Popular Name: (3E)-1-[(2,4-dichlorophenyl)methyl]-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazono]indolin-2-one (3E)-1-[(2,4-dichlorophenyl)meth…

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) 4.23 11.04 -18.92 2 7 0 92 428.279 4 ↓
Ref Reference (pH 7) 4.23 11.17 -15.65 2 7 0 92 428.279 4 ↓
Hi High (pH 8-9.5) 4.68 10.03 -58.58 1 7 -1 95 427.271 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.