UCSF

ZINC39236424

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 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) 5.17 10.08 -2.49 0 2 0 12 303.49 5
Mid Mid (pH 6-8) 5.17 11.77 -36.04 1 2 1 14 304.498 5

Activity (Go SEA)

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