UCSF

ZINC34595783

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 4.46 7.32 -4.41 1 1 0 12 197.281 0
Lo Low (pH 4.5-6) 4.46 7.75 -34.38 2 1 1 17 198.289 0

Activity (Go SEA)

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