UCSF

ZINC20648986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 35 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) -1.39 9.37 -31.19 3 9 1 106 473.557 6
Mid Mid (pH 6-8) -1.39 11.71 -84.67 4 9 2 107 474.565 6

Activity (Go SEA)

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