UCSF

ZINC16741343

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 2.57 8.44 -17.47 1 8 0 98 474.513 9
Mid Mid (pH 6-8) 1.98 9.1 -25.07 0 8 0 95 474.513 9
Lo Low (pH 4.5-6) 3.01 8.39 -63.34 2 8 1 99 475.521 8
Lo Low (pH 4.5-6) 1.98 9.37 -66.75 1 8 1 96 475.521 9

Activity (Go SEA)

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