UCSF

ZINC09458754

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 3.46 11.35 -62.94 0 8 -1 105 484.484 7
Mid Mid (pH 6-8) 3.90 10.26 -31.19 1 8 0 102 485.492 6

Activity (Go SEA)

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