UCSF

ZINC43431728

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) -0.05 4.6 -31.08 2 4 0 60 228.336 5
Lo Low (pH 4.5-6) -0.05 7 -83.09 3 4 1 61 229.344 5

Activity (Go SEA)

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