UCSF

ZINC20128685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.61 8.51 -33.46 2 2 1 16 330.265 6
Mid Mid (pH 6-8) 3.61 9.92 -107.67 3 2 2 21 331.273 6
Mid Mid (pH 6-8) 3.61 7.64 -41.24 2 2 1 20 330.265 6

Activity (Go SEA)

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