UCSF

ZINC36277663

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.01 5.52 -12.78 2 7 0 82 346.431 6
Lo Low (pH 4.5-6) 2.01 6.07 -29.78 3 7 1 83 347.439 6
Lo Low (pH 4.5-6) 2.01 7.5 -44.93 3 7 1 83 347.439 6
Lo Low (pH 4.5-6) 2.01 8.37 -96.57 4 7 2 85 348.447 6

Activity (Go SEA)

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