UCSF

ZINC04118246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 32 No

Other Names:

MFCD00169318

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) 8.00 4.39 -12.02 0 4 0 52 493.397 8

Vendor Notes

Note Type Comments Provided By
melting_point 141 - 142 KeyOrganics

Activity (Go SEA)

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