UCSF

ZINC06564929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 29 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) 1.87 6.45 -62.35 0 7 -1 88 394.403 6
Mid Mid (pH 6-8) 1.87 -0.81 -14.22 1 7 0 85 395.411 6
Mid Mid (pH 6-8) 1.29 -0.92 -14.11 0 7 0 82 395.411 6

Activity (Go SEA)

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