UCSF

ZINC35187825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 16 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) 1.37 1.75 -8.94 1 4 0 44 228.336 6
Lo Low (pH 4.5-6) 1.37 4.05 -41.53 2 4 1 45 229.344 6

Activity (Go SEA)

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