UCSF

ZINC20550179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 18 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) 2.81 5.39 -47.93 3 3 1 46 306.238 3
Mid Mid (pH 6-8) 2.81 4.05 -9.93 2 3 0 41 305.23 3

Activity (Go SEA)

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