UCSF

ZINC04786459

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 36 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) 5.15 13.09 -30.13 1 8 0 100 497.588 8
Mid Mid (pH 6-8) 5.27 11.77 -12.84 0 8 0 101 497.588 8
Mid Mid (pH 6-8) 5.27 12.53 -21.12 0 8 0 101 497.588 8
Mid Mid (pH 6-8) 5.11 11.85 -15.58 0 8 0 101 497.588 8

Activity (Go SEA)

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