UCSF

ZINC43417121

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) -0.79 0.19 -47.16 5 7 1 109 242.303 6
Mid Mid (pH 6-8) -0.33 -1.41 -62.66 4 7 0 113 241.295 6

Activity (Go SEA)

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