UCSF

ZINC59842729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 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) 0.54 -0.13 -61.33 3 4 1 71 236.357 7
Hi High (pH 8-9.5) 0.54 -1.3 -12.83 2 4 0 66 235.349 7

Activity (Go SEA)

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