UCSF

ZINC06415373

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 2.72 7.48 -10.44 1 4 0 55 295.367 3
Lo Low (pH 4.5-6) 2.72 7.78 -40 2 4 1 56 296.375 3

Activity (Go SEA)

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