UCSF

ZINC55090207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 35 Yes

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) 3.00 9.66 -48.92 2 7 1 67 482.645 8
Hi High (pH 8-9.5) 3.00 7.44 -12.75 1 7 0 65 481.637 8

Activity (Go SEA)

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