UCSF

ZINC20872466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 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) 0.60 2.96 -108.39 6 6 2 92 325.453 11
Lo Low (pH 4.5-6) 0.60 1.51 -39.86 5 6 1 87 324.445 11

Activity (Go SEA)

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