UCSF

ZINC59389343

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 21 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) 1.43 6.56 -36.18 2 7 1 78 294.379 6
Hi High (pH 8-9.5) 1.43 4.3 -8.45 1 7 0 77 293.371 6

Activity (Go SEA)

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