UCSF

ZINC37869777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) -0.15 -2.73 -47.04 5 5 1 89 209.225 2
Mid Mid (pH 6-8) -0.15 -4.15 -9.25 4 5 0 85 208.217 2

Activity (Go SEA)

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