UCSF

ZINC03104900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 Yes

Other Names:

MFCD00794101

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) 4.67 2.24 -4.67 0 3 0 49 309.731 2

Vendor Notes

Note Type Comments Provided By
melting_point 168 - 170 KeyOrganics

Activity (Go SEA)

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