UCSF

ZINC45349929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 15 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) -3.77 4.07 -190.83 1 8 -3 149 216.125 6
Lo Low (pH 4.5-6) -3.77 2.14 -117.6 2 8 -2 147 217.133 6
Lo Low (pH 4.5-6) -3.77 0.16 -59.24 3 8 -1 144 218.141 6

Activity (Go SEA)

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