UCSF

ZINC06570840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 25 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) 0.71 4.09 -62.91 3 7 1 86 346.407 9
Lo Low (pH 4.5-6) 0.71 4.37 -124.74 4 7 2 88 347.415 9

Activity (Go SEA)

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