UCSF

ZINC40182731

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 2.28 10.58 -25.39 0 8 0 77 434.496 6
Mid Mid (pH 6-8) 2.28 11.1 -50.86 1 8 1 78 435.504 6

Activity (Go SEA)

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