UCSF

ZINC20405296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 No

Other Names:

MFCD01568697

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) 2.74 5.61 -11.22 3 6 0 90 384.745 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.