UCSF

ZINC05329196

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 23 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) 2.23 -3.14 -13.76 1 5 0 66 334.372 4
Hi High (pH 8-9.5) 2.23 -2.56 -44.66 0 5 -1 68 333.364 4

Activity (Go SEA)

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