UCSF

ZINC19864216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 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) 1.47 2.76 -114.87 1 8 -2 139 366.395 5
Lo Low (pH 4.5-6) 1.47 2.14 -58.57 2 8 -1 136 367.403 5
Lo Low (pH 4.5-6) 1.47 -0.02 -26.31 3 8 0 133 368.411 5

Activity (Go SEA)

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