UCSF

ZINC05856492

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 14 Yes

Other Names:

MFCD18429805

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) 2.75 2.51 -8.87 2 3 0 49 254.5 1
Mid Mid (pH 6-8) 2.75 3.27 -40.16 1 3 -1 52 253.492 1

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 197 KeyOrganics

Activity (Go SEA)

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