UCSF

ZINC16667368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 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) 1.67 8.17 -45.76 2 2 1 29 239.342 3
Lo Low (pH 4.5-6) 1.67 8.45 -106.42 3 2 2 31 240.35 3

Activity (Go SEA)

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