UCSF

ZINC49467343

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 19 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) 2.08 4.02 -8.3 3 6 0 82 260.297 4
Mid Mid (pH 6-8) 2.08 3.54 -27.78 4 6 1 84 261.305 4

Activity (Go SEA)

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