UCSF

ZINC06015269

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 33 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) 6.01 14.74 -24.94 2 4 0 65 472.013 6
Mid Mid (pH 6-8) 6.52 12.78 -11.75 1 4 0 65 472.013 6
Mid Mid (pH 6-8) 6.52 13.93 -14.57 1 4 0 65 472.013 6
Mid Mid (pH 6-8) 6.34 13.23 -11.2 1 4 0 65 472.013 6

Activity (Go SEA)

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