UCSF

ZINC08642752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 24 No

Other Names:

MFCD03080278

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) 5.77 7.84 -9.26 1 4 0 55 379.268 2
Ref Reference (pH 7) 5.77 7.41 -9.32 1 4 0 55 379.268 2
Hi High (pH 8-9.5) 5.77 8.17 -38.38 0 4 -1 57 378.26 2
Hi High (pH 8-9.5) 5.77 8.61 -38.67 0 4 -1 57 378.26 2

Activity (Go SEA)

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