UCSF

ZINC35433168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) 1.18 5.29 -60.89 0 6 -1 70 246.246 2
Lo Low (pH 4.5-6) 1.18 6.33 -32.45 1 6 0 71 247.254 2

Activity (Go SEA)

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