UCSF

ZINC09557322

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 36 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) 4.04 9.72 -15.32 1 9 0 119 504.52 7
Mid Mid (pH 6-8) 3.46 10.42 -18.78 0 9 0 116 504.52 7

Activity (Go SEA)

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