UCSF

ZINC36776276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 0.77 8.36 -62.7 0 5 -1 73 275.328 5
Lo Low (pH 4.5-6) 0.77 5.91 -15.73 1 5 0 71 276.336 5
Lo Low (pH 4.5-6) 0.77 6.36 -42.97 2 5 1 72 277.344 5
Lo Low (pH 4.5-6) 0.77 8.82 -64.06 1 5 0 75 276.336 5

Activity (Go SEA)

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