UCSF

ZINC43425423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.82 6.44 -7.33 0 3 0 36 276.424 2
Mid Mid (pH 6-8) 3.82 8.1 -42.62 1 3 1 37 277.432 2

Activity (Go SEA)

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