UCSF

ZINC06446101

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 26 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) 2.67 5.12 -57.98 1 5 -1 81 419.226 5
Mid Mid (pH 6-8) 2.67 5.22 -12.76 2 5 0 78 420.234 5
Mid Mid (pH 6-8) 2.09 5.59 -12.08 1 5 0 75 420.234 5

Activity (Go SEA)

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