UCSF

ZINC31819242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 24 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) 2.13 1.78 -55.77 1 7 -1 99 320.332 2
Ref Reference (pH 7) 1.95 4.47 -52.83 1 7 -1 96 320.332 2
Lo Low (pH 4.5-6) 1.67 3.66 -13.65 2 7 0 96 321.34 2
Lo Low (pH 4.5-6) 1.49 6.29 -14.49 2 7 0 93 321.34 2

Activity (Go SEA)

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