UCSF

ZINC12543652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 38 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) 2.92 13.25 -21.6 0 8 0 84 508.626 5
Lo Low (pH 4.5-6) 2.92 13.53 -47.04 1 8 1 85 509.634 5

Activity (Go SEA)

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