UCSF

ZINC19471520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) -0.65 1.91 -44.27 4 6 1 79 236.299 2
Mid Mid (pH 6-8) -0.65 -0.56 -9.14 3 6 0 78 235.291 2

Activity (Go SEA)

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