UCSF

ZINC42251273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 3.15 6.58 -6.46 0 4 0 39 289.375 4
Mid Mid (pH 6-8) 3.15 8.77 -44.94 1 4 1 40 290.383 4

Activity (Go SEA)

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