UCSF

ZINC59480465

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 37 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) 5.40 17.15 -49.75 1 9 1 106 529.013 11
Mid Mid (pH 6-8) 5.40 14.78 -13.17 0 9 0 105 528.005 11

Activity (Go SEA)

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