UCSF

ZINC35728021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 38 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) 5.39 14.32 -10.51 0 6 0 55 506.581 6
Mid Mid (pH 6-8) 5.39 16.15 -49.3 1 6 1 56 507.589 6

Activity (Go SEA)

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