UCSF

ZINC20367469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.02 6.91 -38.02 3 4 1 46 298.495 10
Mid Mid (pH 6-8) 3.02 8.16 -103.64 4 4 2 50 299.503 10
Mid Mid (pH 6-8) 3.02 5.94 -40.57 3 4 1 49 298.495 10

Activity (Go SEA)

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