UCSF

ZINC37826979

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.21 5.5 -40.92 3 4 1 51 246.334 2
Mid Mid (pH 6-8) 0.21 3.31 -8.49 2 4 0 50 245.326 2

Activity (Go SEA)

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