UCSF

ZINC36988416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 0.82 1.66 -42.92 3 3 1 40 213.345 1
Mid Mid (pH 6-8) 0.82 3.59 -122.08 4 3 2 41 214.353 1

Activity (Go SEA)

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