UCSF

ZINC39907303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 6.94 17.4 -11.13 0 5 0 47 522.114 10
Lo Low (pH 4.5-6) 6.94 17.54 -34.68 1 5 1 49 523.122 10

Activity (Go SEA)

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