UCSF

ZINC12520188

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 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) 4.46 11.89 -16.76 1 4 0 46 359.454 5
Mid Mid (pH 6-8) 4.46 12.33 -40.24 2 4 1 48 360.462 5

Activity (Go SEA)

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