UCSF

ZINC20036313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 23 Yes

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) 2.82 4.51 -37.14 1 5 -1 77 351.835 5
Mid Mid (pH 6-8) 2.82 4.43 -15.61 2 5 0 75 352.843 5

Activity (Go SEA)

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