UCSF

ZINC19483179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 0.23 4.39 -90.69 5 4 2 69 194.282 4
Hi High (pH 8-9.5) 0.23 4.43 -34.44 4 4 1 67 193.274 4
Hi High (pH 8-9.5) 0.23 4.07 -37.93 4 4 1 68 193.274 4

Activity (Go SEA)

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