UCSF

ZINC23542583

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 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) -0.01 2.59 -55.92 4 6 1 91 248.31 4
Mid Mid (pH 6-8) 0.45 1.38 -69.45 3 6 0 94 247.302 4
Mid Mid (pH 6-8) -0.01 2.23 -81.62 4 6 1 91 248.31 4

Activity (Go SEA)

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