UCSF

ZINC06193044

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 30 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) 3.56 1.48 -45.55 2 6 1 75 431.94 9
Mid Mid (pH 6-8) 2.98 1.3 -54.18 1 6 1 72 431.94 9

Activity (Go SEA)

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