UCSF

ZINC22621849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 22 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) 2.56 7.22 -11.39 2 4 0 58 293.37 5
Lo Low (pH 4.5-6) 2.75 5.25 -36.74 3 4 1 63 294.378 5
Lo Low (pH 4.5-6) 2.56 7.63 -47.51 3 4 1 59 294.378 5

Activity (Go SEA)

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