UCSF

ZINC43393083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

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) 1.94 6.15 -45.76 3 2 1 41 247.387 2
Mid Mid (pH 6-8) 1.94 5.81 -6.19 2 2 0 39 246.379 2

Activity (Go SEA)

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