UCSF

ZINC00187894

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Other Names:

MFCD00444821

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) 2.64 1.47 -18.34 0 5 0 63 245.263 2

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 161 KeyOrganics

Activity (Go SEA)

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