UCSF

ZINC34839584

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 6.17 13.66 -47.14 1 7 1 56 534.599 9
Lo Low (pH 4.5-6) 6.17 14.3 -97.31 2 7 2 57 535.607 9

Activity (Go SEA)

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