UCSF

ZINC59218006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 17 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) 2.54 7.66 -32.3 1 2 1 8 233.379 4
Lo Low (pH 4.5-6) 2.54 9.92 -99.11 2 2 2 9 234.387 4

Activity (Go SEA)

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