UCSF

ZINC34670815

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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 1.19 -10.67 1 5 0 51 317.332 7
Lo Low (pH 4.5-6) 1.45 3.46 -47.96 2 5 1 52 318.34 7

Activity (Go SEA)

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