UCSF

ZINC19865427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 No

Other Names:

MFCD00795087

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) 2.80 12.56 -35.22 1 3 1 25 321.444 4
Hi High (pH 8-9.5) 2.80 10.56 -4.97 0 3 0 24 320.436 4

Vendor Notes

Note Type Comments Provided By
melting_point 79 - 81 KeyOrganics

Activity (Go SEA)

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