UCSF

ZINC05384406

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 21 No

Other Names:

MFCD01314958

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) 4.85 9.22 -8.07 0 3 0 34 343.224 2
Ref Reference (pH 7) 4.85 8.94 -9.65 0 3 0 34 343.224 2

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 132 KeyOrganics

Activity (Go SEA)

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