UCSF

ZINC13424157

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 31 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) 2.38 7.78 -118.1 0 8 -2 119 423.421 8
Mid Mid (pH 6-8) 2.83 6.69 -71.27 1 8 -1 116 424.429 7
Mid Mid (pH 6-8) 1.80 7.72 -53.74 0 8 -1 113 424.429 8

Activity (Go SEA)

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