UCSF

ZINC20171193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 36 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) 4.60 11.78 -62.94 0 6 -1 73 487.62 9
Mid Mid (pH 6-8) 4.60 14.12 -79.41 1 6 0 74 488.628 9

Activity (Go SEA)

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