UCSF

ZINC20177392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 4.70 13.93 -20.96 1 5 0 47 453.652 13
Lo Low (pH 4.5-6) 4.70 14.37 -62.69 2 5 1 48 454.66 13

Activity (Go SEA)

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