UCSF

ZINC08926449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 16 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) 3.11 7.56 -17.7 1 2 0 33 280.165 2
Lo Low (pH 4.5-6) 4.41 5.71 -29.78 2 2 1 34 281.173 2

Activity (Go SEA)

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