UCSF

ZINC16713790

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) 4.35 11.24 -38.65 0 6 -1 79 454.518 10
Mid Mid (pH 6-8) 4.80 9.94 -26.99 1 6 0 76 455.526 9
Mid Mid (pH 6-8) 3.77 11.21 -19.45 0 6 0 73 455.526 10

Activity (Go SEA)

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