UCSF

ZINC43264606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 13 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) 2.25 4.14 -48.96 3 2 1 37 265.196 4
Hi High (pH 8-9.5) 2.25 3.53 -2.13 2 2 0 35 264.188 4

Activity (Go SEA)

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