UCSF

ZINC05687233

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 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) 3.47 9.44 -61.55 0 4 -1 60 332.379 5
Mid Mid (pH 6-8) 2.89 1.1 -10.27 0 4 0 54 333.387 5
Mid Mid (pH 6-8) 3.47 8.61 -14.11 1 4 0 58 333.387 5

Activity (Go SEA)

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