UCSF

ZINC04185481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 32 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) 4.95 -0.77 -15.73 1 6 0 69 467.356 7
Lo Low (pH 4.5-6) 4.95 -0.63 -44.43 2 6 1 70 468.364 7

Activity (Go SEA)

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