UCSF

ZINC48366622

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 16 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) 3.19 6.51 -28.74 1 3 1 30 260.814 5
Hi High (pH 8-9.5) 3.19 4.99 -3.04 0 3 0 29 259.806 5

Activity (Go SEA)

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