UCSF

ZINC04024780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 19 Yes

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) 3.49 7.82 -11.44 0 4 0 36 272.691 1
Mid Mid (pH 6-8) 3.49 8.27 -33.22 1 4 1 37 273.699 1

Vendor Notes

Note Type Comments Provided By
melting_point 208 - 210 KeyOrganics

Activity (Go SEA)

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