UCSF

ZINC10052243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2007 22 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) 2.86 -2.76 -11.3 1 4 0 54 311.41 3
Lo Low (pH 4.5-6) 2.86 -2.72 -33.77 2 4 1 56 312.418 3
Lo Low (pH 4.5-6) 2.86 -2.7 -38.16 2 4 1 56 312.418 3
Lo Low (pH 4.5-6) 2.86 -2.66 -75.97 3 4 2 57 313.426 3

Activity (Go SEA)

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