UCSF

ZINC40184405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.73 10.64 -22.86 1 6 0 77 398.466 8
Mid Mid (pH 6-8) 2.73 11.05 -43.03 2 6 1 78 399.474 8

Activity (Go SEA)

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