UCSF

ZINC43390936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 11 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) 0.82 2.36 -50.42 4 2 1 40 175.614 2
Mid Mid (pH 6-8) 0.82 3.09 -45.52 4 2 1 43 175.614 2
Mid Mid (pH 6-8) 0.82 2.56 -4.51 3 2 0 38 174.606 2

Activity (Go SEA)

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