UCSF

ZINC10013536

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 38 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) 5.71 12.78 -17.44 2 6 0 77 512.581 6
Mid Mid (pH 6-8) 5.85 0.22 -11.22 1 6 0 77 512.581 6
Mid Mid (pH 6-8) 5.85 1.45 -17.27 1 6 0 77 512.581 6

Activity (Go SEA)

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