UCSF

ZINC01384917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 22 No

Other Names:

MFCD00140375

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) 1.84 4.41 -15.11 3 6 0 91 297.314 5
Ref Reference (pH 7) 1.84 4.38 -15.17 3 6 0 91 297.314 5
Mid Mid (pH 6-8) 1.69 4.95 -47.44 3 6 -1 97 296.306 5
Mid Mid (pH 6-8) 1.69 4.74 -50.65 3 6 -1 97 296.306 5

Vendor Notes

Note Type Comments Provided By
melting_point 154 - 156 KeyOrganics

Activity (Go SEA)

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