UCSF

ZINC34852362

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 2.65 12.53 -46.45 1 7 1 64 478.613 6
Hi High (pH 8-9.5) 2.65 10.37 -12.71 0 7 0 62 477.605 6

Activity (Go SEA)

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