UCSF

ZINC27403723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 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) 2.96 7.61 -8.39 1 3 0 42 268.36 5
Lo Low (pH 4.5-6) 2.96 8.07 -41.23 2 3 1 43 269.368 5

Activity (Go SEA)

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