UCSF

ZINC59592659

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 20 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) -1.52 5.94 -114.9 1 7 -2 126 277.232 7
Lo Low (pH 4.5-6) -1.52 3.96 -58.52 2 7 -1 124 278.24 7

Activity (Go SEA)

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