UCSF

ZINC03134292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 25 Yes

Other Names:

MFCD00243536

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) 6.44 11.19 -7.24 0 3 0 31 388.685 3

Vendor Notes

Note Type Comments Provided By
melting_point 166 - 168 KeyOrganics

Activity (Go SEA)

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