UCSF

ZINC50507135

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 20 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) 2.92 6.48 -8 3 4 0 64 290.75 5
Lo Low (pH 4.5-6) 2.92 6.32 -48.45 4 4 1 66 291.758 5

Activity (Go SEA)

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