UCSF

ZINC09214236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 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) -0.90 -9.05 -11.76 4 8 0 119 251.246 2
Lo Low (pH 4.5-6) -0.90 -8.91 -37.64 5 8 1 120 252.254 2
Lo Low (pH 4.5-6) -0.90 -8.92 -37.52 5 8 1 120 252.254 2

Activity (Go SEA)

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