UCSF

ZINC04820574

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 25 Yes

Other Names:

MFCD06631235

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) 2.02 8.18 -13.26 1 8 0 85 342.403 5
Lo Low (pH 4.5-6) 2.19 8.41 -33.77 2 8 1 90 343.411 5

Activity (Go SEA)

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