UCSF

ZINC20184305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -0.86 0.92 -60.04 2 6 1 74 276.382 2
Mid Mid (pH 6-8) -0.86 -0.45 -14.23 1 6 0 70 275.374 2

Activity (Go SEA)

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