UCSF

ZINC19474761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.52 2.44 -101.85 0 6 -2 101 276.273 4
Mid Mid (pH 6-8) 1.52 2.37 -52.51 1 6 -1 99 277.281 4

Activity (Go SEA)

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