UCSF

ZINC12729403

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 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) 4.39 9.66 -52.63 3 7 1 89 494.637 9
Hi High (pH 8-9.5) 4.39 9.76 -77.22 2 7 0 91 493.629 9

Activity (Go SEA)

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