UCSF

ZINC49694805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 36 No

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) 6.05 14.46 -180.09 0 6 -3 120 499.668 6
Lo Low (pH 4.5-6) 6.05 12.61 -108.7 1 6 -2 118 500.676 6

Activity (Go SEA)

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