UCSF

ZINC36747562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 0.22 2.57 -47.54 2 6 -1 87 248.291 4
Mid Mid (pH 6-8) -0.51 2.47 -13.8 3 6 0 90 249.299 4

Activity (Go SEA)

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