UCSF

ZINC40137411

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 4.05 10.68 -23.67 1 7 0 82 415.449 8
Ref Reference (pH 7) 4.05 10.8 -16.92 1 7 0 82 415.449 8

Activity (Go SEA)

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