UCSF

ZINC34956077

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 3.67 4.58 -8.66 1 4 0 59 252.273 2
Lo Low (pH 4.5-6) 3.47 6.59 -73.02 2 4 1 60 253.281 1

Activity (Go SEA)

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