UCSF

ZINC22222017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) -0.05 1.37 -104.92 5 3 2 52 188.315 5
Mid Mid (pH 6-8) -0.05 -0.36 -45.48 4 3 1 51 187.307 5

Activity (Go SEA)

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