UCSF

ZINC12231335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 23 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) -0.06 -0.16 -9.87 1 9 0 100 318.337 4
Mid Mid (pH 6-8) -0.06 0.03 -34.38 2 9 1 101 319.345 4

Activity (Go SEA)

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