UCSF

ZINC16733537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 5.36 10.64 -18.26 1 6 0 80 506.769 7
Mid Mid (pH 6-8) 4.77 11.33 -25.69 0 6 0 77 506.769 7

Activity (Go SEA)

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