UCSF

ZINC33812752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 5.02 9.67 -50.77 1 6 1 68 480.635 6
Mid Mid (pH 6-8) 5.02 6.14 -14.1 0 6 0 67 479.627 6

Activity (Go SEA)

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