UCSF

ZINC39282186

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 1.24 7.07 -20.61 0 6 0 69 268.276 4
Lo Low (pH 4.5-6) 1.24 7.19 -48.1 1 6 1 71 269.284 4

Activity (Go SEA)

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