UCSF

ZINC21950093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 0.27 2.75 -48.19 2 6 1 70 273.382 3
Mid Mid (pH 6-8) 0.27 0.48 -11.15 1 6 0 69 272.374 3

Activity (Go SEA)

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