UCSF

ZINC06446848

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 31 No

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) 5.53 12.1 -33.68 3 4 0 69 404.469 3
Mid Mid (pH 6-8) 5.53 12.83 -103.11 2 4 -1 72 403.461 3
Mid Mid (pH 6-8) 6.22 10.8 -38.82 4 4 1 70 405.477 4
Mid Mid (pH 6-8) 6.21 10.41 -13.02 3 4 0 69 404.469 4
Mid Mid (pH 6-8) 6.21 10.31 -13.2 3 4 0 69 404.469 4

Activity (Go SEA)

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