UCSF

ZINC95921739

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2014 21 No

CAS Number: 1440209-96-0

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) 1.79 4.46 -25.68 3 5 0 78 284.315 5
Hi High (pH 8-9.5) 1.79 5.68 -68.6 2 5 -1 81 283.307 5

Vendor Notes

Note Type Comments Provided By
Indications epigenetic KeyOrganics Bioactives

Activity (Go SEA)

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

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