UCSF

ZINC40822806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 33 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) 1.65 6.59 -60.34 4 8 1 110 455.531 6
Hi High (pH 8-9.5) 1.65 4.86 -15.4 3 8 0 108 454.523 6

Activity (Go SEA)

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