UCSF

ZINC63120752

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 14 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) 0.60 7.81 -106.3 2 3 2 33 197.326 4
Mid Mid (pH 6-8) 0.60 5.76 -38.41 1 3 1 31 196.318 4

Activity (Go SEA)

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