UCSF

ZINC13828252

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 33 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) 6.31 14.46 -16.77 1 5 0 56 447.623 11
Mid Mid (pH 6-8) 6.31 14.75 -39.05 2 5 1 57 448.631 11

Activity (Go SEA)

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