UCSF

ZINC40148793

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) -0.10 12.97 -100.43 4 5 2 60 388.943 8
Hi High (pH 8-9.5) -0.10 10.8 -31.86 3 5 1 58 387.935 8

Activity (Go SEA)

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