UCSF

ZINC37826881

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.27 5.34 -90.51 3 5 2 51 259.394 6
Hi High (pH 8-9.5) 0.27 4.15 -37.3 2 5 1 46 258.386 6

Activity (Go SEA)

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