UCSF

ZINC59685161

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 19 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) -1.53 8.55 -32.38 2 3 1 29 260.405 2
Lo Low (pH 4.5-6) -1.53 8.41 -81.33 3 3 2 31 261.413 2

Activity (Go SEA)

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