UCSF

ZINC37084495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.41 5.91 -12.15 1 4 0 45 269.348 4
Lo Low (pH 4.5-6) 1.41 6.38 -46 2 4 1 46 270.356 4

Activity (Go SEA)

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