UCSF

ZINC37043866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

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) 1.77 7.23 -99.46 4 4 2 50 295.452 6
Mid Mid (pH 6-8) 1.77 6.04 -46.38 3 4 1 46 294.444 6

Activity (Go SEA)

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