UCSF

ZINC15974432

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 22 No

Other Names:

MFCD00111539

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) 1.44 3.87 -59.02 1 6 -1 90 335.386 2
Hi High (pH 8-9.5) 2.62 3.56 -60.6 1 6 -1 90 335.386 2

Vendor Notes

Note Type Comments Provided By
melting_point 163 - 165 KeyOrganics

Activity (Go SEA)

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