UCSF

ZINC16488702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 19 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) 3.46 8.43 -12.49 1 3 0 38 270.719 2
Mid Mid (pH 6-8) 3.92 6.57 -8.59 1 3 0 38 270.719 2

Activity (Go SEA)

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