UCSF

ZINC00377858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 19 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) 4.46 9.6 -45.29 0 2 -1 40 249.289 2
Lo Low (pH 4.5-6) 3.78 9.53 -8.17 0 2 0 34 250.297 2

Activity (Go SEA)

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