UCSF

ZINC04553429

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 26 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) 5.96 7.16 -5.78 2 3 0 45 368.546 3
Lo Low (pH 4.5-6) 5.96 8.75 -32.22 3 3 1 46 369.554 3

Activity (Go SEA)

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