UCSF

ZINC05931539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 4.75 10.58 -6.17 1 3 0 41 344.867 4
Lo Low (pH 4.5-6) 4.75 9.91 -39.32 0 3 -1 44 343.859 5
Lo Low (pH 4.5-6) 4.75 10.45 -12.39 1 3 0 41 344.867 5

Activity (Go SEA)

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