UCSF

ZINC06786268

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) 1.58 6.06 -60.52 0 9 -1 129 371.325 7
Mid Mid (pH 6-8) 2.02 1.02 -25.88 1 9 0 125 372.333 6

Activity (Go SEA)

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