UCSF

ZINC03116954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 19 Yes

Other Names:

MFCD00173053

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) 2.96 6.43 -7.32 1 4 0 42 262.353 5

Vendor Notes

Note Type Comments Provided By
melting_point 82 - 84 KeyOrganics

Activity (Go SEA)

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