UCSF

ZINC01137748

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 5.36 9.86 -6.15 2 3 0 37 261.328 4
Lo Low (pH 4.5-6) 5.36 9.44 -26.01 3 3 1 38 262.336 4

Activity (Go SEA)

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