UCSF

ZINC09468621

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 22 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) 3.34 -5.52 -11.84 3 5 0 80 350.494 5
Lo Low (pH 4.5-6) 3.34 -5.34 -32.24 4 5 1 82 351.502 5
Lo Low (pH 4.5-6) 3.34 -5.3 -32.38 4 5 1 82 351.502 5

Activity (Go SEA)

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