UCSF

ZINC31820128

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 26 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) 2.16 1.07 -54.64 1 8 -1 108 350.358 3
Ref Reference (pH 7) 1.98 3.78 -51.36 1 8 -1 105 350.358 3
Lo Low (pH 4.5-6) 1.71 2.96 -13.69 2 8 0 105 351.366 3
Lo Low (pH 4.5-6) 1.52 5.59 -14.11 2 8 0 102 351.366 3

Activity (Go SEA)

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