UCSF

ZINC34841486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) 5.20 13.88 -46.63 1 6 1 46 450.603 7
Lo Low (pH 4.5-6) 5.20 14.51 -97.37 2 6 2 48 451.611 7

Activity (Go SEA)

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