UCSF

ZINC06484169

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 17 Yes

Other Names:

MFCD04113938

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) 2.15 6.33 -54.31 0 3 -1 45 228.271 3
Lo Low (pH 4.5-6) 2.15 5.58 -13.44 1 3 0 42 229.279 3

Activity (Go SEA)

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