UCSF

ZINC20899384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 5.04 9.96 -21.34 1 8 0 100 466.563 5
Mid Mid (pH 6-8) 5.04 10.35 -42.92 2 8 1 102 467.571 5

Activity (Go SEA)

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