UCSF

ZINC04118301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 28 No

Other Names:

MFCD00169511

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) 5.95 4.6 -12.2 0 3 0 43 368.432 7

Vendor Notes

Note Type Comments Provided By
melting_point 158 - 159 KeyOrganics

Activity (Go SEA)

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