UCSF

ZINC19889763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 2.13 6.42 -40.83 2 4 1 37 276.404 4
Mid Mid (pH 6-8) 2.13 4.05 -8.58 1 4 0 36 275.396 4
Mid Mid (pH 6-8) 2.13 6.31 -42 2 4 1 37 276.404 4

Activity (Go SEA)

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