UCSF

ZINC06248251

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 27 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) 2.93 9.47 -12.68 1 5 0 60 354.413 5
Lo Low (pH 4.5-6) 2.93 9.75 -47.31 2 5 1 61 355.421 5

Activity (Go SEA)

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