UCSF

ZINC26145485

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 26 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) 1.13 4.11 -14.39 1 6 0 66 363.364 5
Mid Mid (pH 6-8) 1.13 6.43 -58.2 2 6 1 67 364.372 5

Activity (Go SEA)

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