UCSF

ZINC26516162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 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) 1.19 2.07 -11.89 1 3 0 42 184.264 2
Mid Mid (pH 6-8) 1.92 1.28 -40.87 0 3 -1 39 183.256 2

Activity (Go SEA)

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