UCSF

ZINC05447604

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 25 No

Other Names:

MFCD00565732

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) 4.01 6.96 -15.98 2 6 0 84 378.215 4
Ref Reference (pH 7) 4.01 6.84 -23.9 2 6 0 84 378.215 4
Hi High (pH 8-9.5) 4.47 5.2 -45.64 1 6 -1 87 377.207 4
Hi High (pH 8-9.5) 4.47 4.93 -62.38 1 6 -1 87 377.207 4

Activity (Go SEA)

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