UCSF

ZINC09444844

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 Yes

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) 4.39 6.64 -23.49 1 8 0 115 515.638 5
Mid Mid (pH 6-8) 4.39 5.57 -64.25 0 8 -1 117 514.63 5
Mid Mid (pH 6-8) 4.39 6.66 -68.44 0 8 -1 117 514.63 5

Activity (Go SEA)

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