UCSF

ZINC26443866

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 13 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) 2.82 5.26 -5.18 0 2 0 16 216.737 2
Lo Low (pH 4.5-6) 2.82 5.66 -26.83 1 2 1 17 217.745 2

Activity (Go SEA)

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