UCSF

ZINC35682896

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 13 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) 1.54 6.77 -8.46 0 2 0 18 170.215 0
Mid Mid (pH 6-8) 1.54 7.24 -28.36 1 2 1 19 171.223 0

Activity (Go SEA)

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