UCSF

ZINC34699104

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 5.73 12.44 -40.16 2 5 1 54 473.637 8
Hi High (pH 8-9.5) 5.73 9.87 -12.77 1 5 0 53 472.629 8

Activity (Go SEA)

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