UCSF

ZINC20075484

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.36 3.19 -54.49 3 5 -1 95 249.29 8
Lo Low (pH 4.5-6) 1.36 2.07 -15.01 4 5 0 92 250.298 8

Activity (Go SEA)

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