UCSF

ZINC12559944

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 1.95 6.02 -9.05 1 5 0 63 277.349 4
Ref Reference (pH 7) 2.48 5.05 -16.85 1 5 0 63 277.349 5
Hi High (pH 8-9.5) 2.48 4.94 -42.05 0 5 -1 65 276.341 5

Activity (Go SEA)

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