UCSF

ZINC06786125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 1.95 5.46 -61.76 0 7 -1 92 370.381 8
Mid Mid (pH 6-8) 1.36 0.72 -13.99 0 7 0 86 371.389 8
Mid Mid (pH 6-8) 1.95 4.63 -16.78 1 7 0 89 371.389 8

Activity (Go SEA)

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