UCSF

ZINC16689648

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.65 4.5 -57.94 2 9 1 108 481.62 8
Mid Mid (pH 6-8) 1.65 2.44 -22.87 1 9 0 107 480.612 8

Activity (Go SEA)

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