UCSF

ZINC34622828

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 1.56 5.14 -6.42 1 4 0 51 194.234 5
Lo Low (pH 4.5-6) 1.56 5.5 -32.74 2 4 1 52 195.242 5

Activity (Go SEA)

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