UCSF

ZINC02601788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 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) 2.32 -0.93 -13.62 1 4 0 46 273.38 6
Mid Mid (pH 6-8) -1.09 -0.76 -35.17 2 4 1 48 274.388 6

Activity (Go SEA)

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