UCSF

ZINC00455045

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

Other Names:

MFCD02720236

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) 3.78 -0.24 -11.02 1 3 0 38 300.361 3

Vendor Notes

Note Type Comments Provided By
melting_point 153 - 155 KeyOrganics

Activity (Go SEA)

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