UCSF

ZINC06423969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 28 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) 2.15 8.02 -14.25 1 6 0 84 374.396 6
Mid Mid (pH 6-8) 1.57 8.74 -19.87 0 6 0 80 374.396 6
Lo Low (pH 4.5-6) 2.60 7.98 -68.93 2 6 1 85 375.404 5
Lo Low (pH 4.5-6) 1.57 9.02 -57.54 1 6 1 82 375.404 6

Activity (Go SEA)

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