UCSF

ZINC16688884

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 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) 2.45 5.33 -61.67 2 9 1 114 496.631 9
Mid Mid (pH 6-8) 2.45 2.62 -24.81 1 9 0 113 495.623 9

Activity (Go SEA)

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