UCSF

ZINC06896767

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 23 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) 5.06 10.44 -7.87 1 2 0 24 298.389 2
Lo Low (pH 4.5-6) 5.06 10.32 -26.36 2 2 1 26 299.397 2

Activity (Go SEA)

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