UCSF

ZINC40182452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 38 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) 3.36 13.65 -27.87 0 8 0 77 508.578 4
Mid Mid (pH 6-8) 3.36 14.15 -54.85 1 8 1 78 509.586 4

Activity (Go SEA)

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