UCSF

ZINC22461788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 17 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) -0.32 -3.35 -7.58 2 5 0 56 246.351 7
Mid Mid (pH 6-8) -0.32 -1.05 -41.27 3 5 1 57 247.359 7
Mid Mid (pH 6-8) -0.32 -0.94 -36.33 3 5 1 57 247.359 7

Activity (Go SEA)

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