UCSF

ZINC19805753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 2.52 7.26 -14.45 2 3 0 42 249.383 2
Mid Mid (pH 6-8) 2.52 7.69 -45.69 3 3 1 43 250.391 2

Activity (Go SEA)

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