UCSF

ZINC44250461

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -1.42 -0.39 -45.57 5 4 1 80 213.232 4
Hi High (pH 8-9.5) -1.42 -0.75 -11.01 4 4 0 78 212.224 4

Activity (Go SEA)

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