UCSF

ZINC13396874

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 32 Yes

Other Names:

MFCD04125292

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.03 12.26 -17.87 0 7 0 117 430.46 6

Vendor Notes

Note Type Comments Provided By
melting_point 188 - 190 KeyOrganics

Activity (Go SEA)

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