UCSF

ZINC20184945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 No

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) -0.82 3.48 -62.13 1 5 0 65 186.211 2
Mid Mid (pH 6-8) -0.82 1.16 -45.26 0 5 -1 64 185.203 2

Activity (Go SEA)

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