UCSF

ZINC49752841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 17 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) 1.68 4.8 -32.67 2 3 1 38 249.359 6
Mid Mid (pH 6-8) 1.68 2.27 -6.61 1 3 0 36 248.351 6

Activity (Go SEA)

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