UCSF

ZINC19977675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.54 3.23 -54.76 2 5 1 57 240.327 1
Mid Mid (pH 6-8) -0.54 1.86 -10.39 1 5 0 53 239.319 1

Activity (Go SEA)

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