UCSF

ZINC39432246

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 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) 1.45 4.25 -65.46 3 7 -1 129 379.458 6
Lo Low (pH 4.5-6) 1.45 2.32 -22.42 4 7 0 127 380.466 6

Activity (Go SEA)

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