UCSF

ZINC09529219

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 22 Yes

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) 1.25 -4.05 -14.79 2 6 0 76 321.402 7
Mid Mid (pH 6-8) 1.25 -3.8 -38.45 3 6 1 77 322.41 7

Activity (Go SEA)

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