UCSF

ZINC02821193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 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) 3.08 0 -15.41 1 5 0 75 339.42 5
Lo Low (pH 4.5-6) 3.08 0.1 -48.55 2 5 1 76 340.428 5

Activity (Go SEA)

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