UCSF

ZINC01401062

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 26 No

Popular Name: 4-amino-2-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-isoindole-1,3(2H)-dione 4-amino-2-(2-{[3-chloro-5-(trifl…

Find On: PubMed — Wikipedia — Google

CAS Number: 339101-72-3

Other Names:

MFCD01568697

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) 2.73 -0.99 -34.91 4 6 1 91 385.753 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 166 - 168 KeyOrganics

Activity (Go SEA)

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

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