UCSF

ZINC16956278

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 34 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) 1.98 5.77 -59.05 0 9 -1 116 487.554 10
Mid Mid (pH 6-8) 2.42 5.72 -18.11 1 9 0 113 488.562 9

Activity (Go SEA)

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