UCSF

ZINC05550362

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 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) 1.54 5.64 -12.02 2 4 0 46 273.361 6
Lo Low (pH 4.5-6) 1.54 6.12 -45.7 3 4 1 47 274.369 6

Activity (Go SEA)

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