UCSF

ZINC12285347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2008 26 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) 2.87 6.36 -23.99 2 9 0 129 374.74 5
Ref Reference (pH 7) 2.87 6.49 -22.14 2 9 0 129 374.74 5
Mid Mid (pH 6-8) 3.33 4.48 -49.22 1 9 -1 132 373.732 5
Mid Mid (pH 6-8) 3.33 4.74 -40.02 1 9 -1 132 373.732 5

Activity (Go SEA)

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