UCSF

ZINC42949155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.88 3.37 -62.61 5 4 1 80 291.758 5
Hi High (pH 8-9.5) 1.88 3.04 -11.71 4 4 0 78 290.75 5

Activity (Go SEA)

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