UCSF

ZINC20357215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 29 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) 3.98 10.04 -13.16 1 5 0 37 434.005 9
Mid Mid (pH 6-8) 3.98 12.4 -63.74 2 5 1 38 435.013 9

Activity (Go SEA)

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