UCSF

ZINC16737259

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 27 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) 3.46 8.5 -12.13 1 5 0 67 363.413 7
Mid Mid (pH 6-8) 2.87 9.15 -19.14 0 5 0 64 363.413 7

Activity (Go SEA)

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