UCSF

ZINC35829929

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 33 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) 0.67 8.26 -35.85 1 7 1 66 487.671 9
Mid Mid (pH 6-8) 0.67 10.5 -109.59 2 7 2 67 488.679 9

Activity (Go SEA)

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