UCSF

ZINC35273504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) -0.09 1.86 -52.77 3 6 1 69 297.423 4
Lo Low (pH 4.5-6) -0.09 4.08 -120.41 4 6 2 70 298.431 4

Activity (Go SEA)

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