UCSF

ZINC39110992

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 2.16 2.24 -3.81 1 3 0 33 227.348 3
Mid Mid (pH 6-8) 2.16 4.47 -31.78 2 3 1 34 228.356 3

Activity (Go SEA)

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