UCSF

ZINC49856901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 17 Yes

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) -0.66 -0.77 -42.76 4 6 1 83 246.331 9
Hi High (pH 8-9.5) -0.66 -2.76 -14.09 3 6 0 82 245.323 9

Activity (Go SEA)

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