UCSF

ZINC18043153

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 30 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) 4.61 12.73 -60.2 0 4 -1 60 398.413 5
Mid Mid (pH 6-8) 4.61 12.32 -12.91 1 4 0 58 399.421 5

Activity (Go SEA)

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