UCSF

ZINC40828260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 24 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) 2.96 9.98 -18.81 1 4 0 64 322.36 7
Hi High (pH 8-9.5) 3.71 8.92 -54.89 1 4 -1 70 321.352 6

Activity (Go SEA)

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