UCSF

ZINC37854945

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) 0.23 1.35 -11.52 2 6 0 86 247.254 3
Hi High (pH 8-9.5) 0.68 -0.44 -49.42 1 6 -1 89 246.246 3

Activity (Go SEA)

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