UCSF

ZINC43413366

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.34 3.86 -63.77 2 6 -1 98 283.348 7
Lo Low (pH 4.5-6) 0.34 1.88 -21.22 3 6 0 95 284.356 7

Activity (Go SEA)

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