UCSF

ZINC01393370

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 18 Yes

Other Names:

MFCD00138886

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) 2.74 1.96 -13.84 0 4 0 53 299.131 1

Vendor Notes

Note Type Comments Provided By
melting_point 245 - 247 KeyOrganics

Activity (Go SEA)

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