UCSF

ZINC23180046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 25 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) 2.65 5.6 -12.32 1 4 0 42 346.377 5
Lo Low (pH 4.5-6) 2.65 7.99 -58.02 2 4 1 43 347.385 5

Activity (Go SEA)

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