UCSF

ZINC31979136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -0.17 1.91 -63.15 1 6 -1 84 281.332 4
Lo Low (pH 4.5-6) -0.17 0.79 -15.51 2 6 0 81 282.34 4
Lo Low (pH 4.5-6) -0.17 3.13 -45.68 3 6 1 82 283.348 4
Lo Low (pH 4.5-6) -0.17 4.25 -78.59 2 6 0 85 282.34 4

Activity (Go SEA)

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