UCSF

ZINC43453369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) -0.17 5.65 -45.98 3 4 1 51 260.427 8
Hi High (pH 8-9.5) -0.17 3.44 -12.81 2 4 0 50 259.419 8

Activity (Go SEA)

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