UCSF

ZINC04889409

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 18 No

Other Names:

MFCD02239478

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) 3.32 4.95 -9.32 1 4 0 63 239.23 1
Ref Reference (pH 7) 3.32 4.8 -10.1 1 4 0 63 239.23 1

Vendor Notes

Note Type Comments Provided By
melting_point 287 - 290 KeyOrganics

Activity (Go SEA)

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