UCSF

ZINC10188185

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 34 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) 3.92 0.11 -15.87 1 7 0 82 477.948 8
Lo Low (pH 4.5-6) 3.92 0.32 -57.55 2 7 1 83 478.956 8

Activity (Go SEA)

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