UCSF

ZINC04126689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 23 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) 5.94 0.49 -6.08 0 2 0 22 343.879 5
Lo Low (pH 4.5-6) 5.94 0.64 -30.26 1 2 1 23 344.887 5

Activity (Go SEA)

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