UCSF

ZINC02584506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 No

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) 5.78 11.46 -4.91 0 1 0 12 251.373 5
Lo Low (pH 4.5-6) 5.78 11.11 -32.44 1 1 1 14 252.381 5
Lo Low (pH 4.5-6) 5.78 11.82 -29.7 1 1 1 14 252.381 5

Activity (Go SEA)

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