UCSF

ZINC19428469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -0.55 0.56 -11.67 3 6 0 79 276.34 3
Mid Mid (pH 6-8) -0.55 2.95 -48.69 4 6 1 80 277.348 3

Activity (Go SEA)

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