UCSF

ZINC01392830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Other Names:

MFCD02082204

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) 4.13 9.32 -11.07 0 5 0 58 323.348 6
Lo Low (pH 4.5-6) 4.13 9.81 -30.9 1 5 1 59 324.356 6

Vendor Notes

Note Type Comments Provided By
melting_point 100 - 101 KeyOrganics

Activity (Go SEA)

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