UCSF

ZINC96308815

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2014 0 No

Other Names:

MFCD01951252

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) 2.17 5.52 -9.25 2 3 0 44 209.252 0

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 175 KeyOrganics

Activity (Go SEA)

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

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