UCSF

ZINC47976193

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 15 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) 1.71 5 -8.63 1 4 0 45 207.277 4
Mid Mid (pH 6-8) 1.71 5.42 -30.35 2 4 1 46 208.285 4

Activity (Go SEA)

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