UCSF

ZINC53116749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 1.44 5.13 -44.44 2 5 -1 89 294.371 4
Lo Low (pH 4.5-6) 1.44 3.34 -6.32 3 5 0 87 295.379 4

Activity (Go SEA)

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