UCSF

ZINC47673071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 25 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) 2.55 9.02 -45.36 2 7 1 89 344.391 8
Hi High (pH 8-9.5) 2.55 6.5 -10.81 1 7 0 87 343.383 8

Activity (Go SEA)

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