UCSF

ZINC40181153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 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) 3.67 13.14 -12.77 0 6 0 60 442.563 9
Mid Mid (pH 6-8) 3.67 14.06 -37.96 1 6 1 62 443.571 9

Activity (Go SEA)

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