UCSF

ZINC19775772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 0.46 0.38 -35.38 5 6 1 83 313.809 5
Hi High (pH 8-9.5) 0.46 -1.98 -12.77 4 6 0 82 312.801 5

Activity (Go SEA)

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