UCSF

ZINC17056514

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 32 No

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) 4.51 9.34 -49.25 0 9 -1 134 471.232 4
Lo Low (pH 4.5-6) 4.05 11.79 -13.45 1 9 0 131 472.24 4

Activity (Go SEA)

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