UCSF

ZINC37096204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.54 3.66 -33.98 2 4 1 37 228.36 5
Mid Mid (pH 6-8) 0.54 4.95 -94.8 3 4 2 41 229.368 5

Activity (Go SEA)

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