UCSF

ZINC40973811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 26 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) -0.91 2.87 -23.12 3 8 0 130 364.35 4
Hi High (pH 8-9.5) -0.91 3.86 -72.77 2 8 -1 133 363.342 4

Activity (Go SEA)

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