UCSF

ZINC05940431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 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) 6.39 11.17 -42.98 0 2 -1 27 317.371 0
Mid Mid (pH 6-8) 6.39 11.58 -14.48 1 2 0 29 318.379 0

Activity (Go SEA)

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