UCSF

ZINC43394456

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.36 9.5 -197 5 3 3 37 292.491 5
Hi High (pH 8-9.5) 2.36 9.77 -89.13 4 3 2 35 291.483 5
Mid Mid (pH 6-8) 2.36 7.6 -90.57 4 3 2 35 291.483 5

Activity (Go SEA)

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