UCSF

ZINC09265039

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 21 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) 3.80 7.4 -9.59 1 4 0 58 295.367 2
Lo Low (pH 4.5-6) 3.80 -1.39 -37.52 2 4 1 59 296.375 2
Lo Low (pH 4.5-6) 3.80 7.87 -38.43 2 4 1 59 296.375 2

Activity (Go SEA)

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