UCSF

ZINC03934746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 29 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) 2.77 -6.49 -45.98 4 8 1 105 412.543 7

Activity (Go SEA)

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