UCSF

ZINC04923872

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 29 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) 6.97 12.86 -10.29 1 3 0 42 424.997 5
Lo Low (pH 4.5-6) 6.97 13.1 -37.14 2 3 1 43 426.005 5

Activity (Go SEA)

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