UCSF

ZINC05550642

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 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) 5.80 12.78 -55.02 2 2 1 29 341.478 6
Lo Low (pH 4.5-6) 5.80 13.05 -93.73 3 2 2 31 342.486 6

Activity (Go SEA)

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