UCSF

ZINC20176460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.23 10.32 -18.45 1 6 0 46 478.058 12
Mid Mid (pH 6-8) 4.23 12.65 -68.21 2 6 1 47 479.066 12

Activity (Go SEA)

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