UCSF

ZINC01537482

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 25 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) 2.23 -0.82 -18.81 1 6 0 77 340.379 5
Lo Low (pH 4.5-6) 2.23 -0.2 -37.68 2 6 1 78 341.387 5

Activity (Go SEA)

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