UCSF

ZINC20184153

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) -0.43 2.83 -16.94 1 5 0 53 251.33 2
Mid Mid (pH 6-8) -0.43 4.24 -57.79 2 5 1 57 252.338 2

Activity (Go SEA)

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