UCSF

ZINC26152888

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 22 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) -1.14 -1.24 -49.63 4 10 -1 159 328.245 5
Mid Mid (pH 6-8) -1.14 -0.09 -132.42 3 10 -2 162 327.237 5

Activity (Go SEA)

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