UCSF

ZINC41703753

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 0.49 -0.54 -11.88 3 6 0 76 293.367 4
Mid Mid (pH 6-8) 0.49 1.75 -45.78 4 6 1 77 294.375 4

Activity (Go SEA)

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