UCSF

ZINC43412077

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) -0.50 2.69 -115.91 4 4 2 52 201.314 3
Hi High (pH 8-9.5) -0.50 2.46 -37 3 4 1 51 200.306 3

Activity (Go SEA)

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