UCSF

ZINC54404925

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 3.25 5.54 -37.73 3 1 1 28 217.119 2
Hi High (pH 8-9.5) 3.25 5.27 -1.54 2 1 0 26 216.111 2

Activity (Go SEA)

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