UCSF

ZINC42766006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 No

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) 1.08 3.88 -9.44 2 2 0 29 226.37 2
Lo Low (pH 4.5-6) 1.08 5.4 -39.19 3 2 1 30 227.378 2

Activity (Go SEA)

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