UCSF

ZINC20647759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 32 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) 3.40 6.68 -14.18 1 7 0 77 434.492 5
Mid Mid (pH 6-8) 3.40 7.31 -45.96 0 7 -1 80 433.484 5

Activity (Go SEA)

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