UCSF

ZINC35856080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 37 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) 5.05 14.02 -19.81 1 6 0 72 499.655 9
Lo Low (pH 4.5-6) 5.05 14.47 -54.27 2 6 1 73 500.663 9

Activity (Go SEA)

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