UCSF

ZINC06720054

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 26 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) 1.94 2.5 -14.52 3 8 0 123 354.366 6
Lo Low (pH 4.5-6) 1.94 3.52 -58.31 4 8 1 125 355.374 6

Activity (Go SEA)

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