UCSF

ZINC04748301

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 17 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) 0.18 3.48 -55.36 1 5 -1 82 235.263 6
Lo Low (pH 4.5-6) 0.18 3.76 -73.72 2 5 0 83 236.271 6

Activity (Go SEA)

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