UCSF

ZINC45649996

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 2.69 4.77 -33.52 2 2 1 20 199.362 5
Lo Low (pH 4.5-6) 2.69 7.15 -103.82 3 2 2 21 200.37 5

Activity (Go SEA)

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