UCSF

ZINC04566320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 26 No

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) -2.74 -1.54 -89.88 6 10 2 132 378.47 4
Hi High (pH 8-9.5) -2.74 -5.34 -12.93 4 10 0 130 376.454 4
Mid Mid (pH 6-8) -2.74 -3.37 -44.9 5 10 1 131 377.462 4

Activity (Go SEA)

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