UCSF

ZINC95921740

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2014 20 No

Other Names:

MFCD26383436

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) 1.38 3.69 -22.74 3 5 0 78 270.288 4
Hi High (pH 8-9.5) 1.38 4.91 -65.57 2 5 -1 81 269.28 4

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.