UCSF

ZINC13208162

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 22 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) 3.08 8.17 -9.49 0 4 0 52 351.214 2
Lo Low (pH 4.5-6) 3.08 8.46 -49.31 1 4 1 53 352.222 2

Activity (Go SEA)

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