UCSF

ZINC58019902

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 19 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) 4.60 10.93 -11.71 0 2 0 17 288.803 3
Mid Mid (pH 6-8) 4.60 11.37 -29.71 1 2 1 19 289.811 3

Activity (Go SEA)

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