UCSF

ZINC24108010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 25 No

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) 2.13 8.27 -44.88 2 7 1 78 342.423 7
Mid Mid (pH 6-8) 2.13 8.33 -43.56 2 7 1 78 342.423 7
Mid Mid (pH 6-8) 2.13 5.94 -9.05 1 7 0 77 341.415 7

Activity (Go SEA)

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