UCSF

ZINC24832135

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 33 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) 3.89 9.71 -13.58 1 7 0 72 486.041 9
Lo Low (pH 4.5-6) 3.89 12.1 -55.32 2 7 1 73 487.049 9

Activity (Go SEA)

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