UCSF

ZINC53194652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 19 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) 1.73 5.77 -11.19 0 4 0 36 261.369 5
Mid Mid (pH 6-8) 1.73 5.77 -38.09 1 4 1 38 262.377 5
Lo Low (pH 4.5-6) 1.73 7.99 -45.85 1 4 1 38 262.377 5

Activity (Go SEA)

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