UCSF

ZINC26532495

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 26 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) 4.91 10.66 -12.08 1 3 0 19 432.779 5
Mid Mid (pH 6-8) 4.91 12.99 -54.01 2 3 1 20 433.787 5

Activity (Go SEA)

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