UCSF

ZINC42163589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 16 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) 1.03 6.38 -32.91 1 4 0 48 228.336 7
Mid Mid (pH 6-8) 1.03 8.49 -72.22 2 4 1 49 229.344 7

Activity (Go SEA)

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