UCSF

ZINC16691462

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 6.33 12.56 -12.39 0 5 0 47 453.586 7
Ref Reference (pH 7) 6.33 12.87 -11.63 0 5 0 47 453.586 7
Mid Mid (pH 6-8) 6.33 14.87 -46.41 1 5 1 48 454.594 7
Mid Mid (pH 6-8) 6.33 15.17 -44.74 1 5 1 48 454.594 7

Activity (Go SEA)

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