UCSF

ZINC17206093

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 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) 3.43 8.1 -23.23 1 8 0 110 356.363 5
Mid Mid (pH 6-8) 3.50 7.2 -45.72 0 8 -1 116 355.355 5

Activity (Go SEA)

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