UCSF

ZINC43965704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 4.37 8.47 -85.49 3 3 2 24 299.547 9
Hi High (pH 8-9.5) 4.37 6.33 -36.2 2 3 1 23 298.539 9

Activity (Go SEA)

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