UCSF

ZINC20900145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 2.52 7.63 -31.87 2 5 0 75 335.388 2
Hi High (pH 8-9.5) 2.59 6.73 -64.34 1 5 -1 81 334.38 2

Activity (Go SEA)

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