UCSF

ZINC19475616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.24 5.92 -92.6 5 4 2 69 222.336 6
Hi High (pH 8-9.5) 1.24 5.96 -34.85 4 4 1 67 221.328 6
Hi High (pH 8-9.5) 1.24 5.6 -37.93 4 4 1 68 221.328 6

Activity (Go SEA)

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