UCSF

ZINC09662076

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 31 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) 3.61 -0.42 -14.59 1 7 0 89 441.867 7
Mid Mid (pH 6-8) 3.03 -0.6 -21.03 0 7 0 86 441.867 7

Activity (Go SEA)

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