UCSF

ZINC37005417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.40 0.5 -43.49 5 5 1 89 258.367 3
Mid Mid (pH 6-8) -0.40 -0.71 -13.08 4 5 0 84 257.359 3

Activity (Go SEA)

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