UCSF

ZINC36677006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 3.53 7.69 -11.67 1 3 0 44 280.437 5
Mid Mid (pH 6-8) 3.37 7.36 -7.54 2 3 0 46 280.437 5

Activity (Go SEA)

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