UCSF

ZINC05249734

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 26 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) 4.03 10.66 -9.67 0 4 0 52 343.382 4
Lo Low (pH 4.5-6) 4.03 10.95 -41.72 1 4 1 54 344.39 4

Activity (Go SEA)

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