UCSF

ZINC55941478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2010 23 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) 2.67 6 -19.04 2 5 0 61 331.441 6
Mid Mid (pH 6-8) 2.30 5.5 -47.22 3 5 1 66 332.449 7

Activity (Go SEA)

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