UCSF

ZINC14532448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 5.58 12.27 -16.4 2 8 0 94 480.609 12
Lo Low (pH 4.5-6) 5.58 12.52 -43.45 3 8 1 96 481.617 12

Activity (Go SEA)

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