UCSF

ZINC48613980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 15 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) 0.05 -0.88 -8.83 1 5 0 51 216.281 6
Lo Low (pH 4.5-6) 0.05 1.31 -39.16 2 5 1 52 217.289 6

Activity (Go SEA)

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