UCSF

ZINC03105987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 24 Yes

Other Names:

MFCD00795000

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) 5.24 1.38 -4.68 0 4 0 58 356.212 3

Vendor Notes

Note Type Comments Provided By
melting_point 204 - 206 KeyOrganics

Activity (Go SEA)

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