UCSF

ZINC09246318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 38 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) 6.50 14.08 -21.62 1 7 0 83 519.638 11
Mid Mid (pH 6-8) 6.45 1.39 -11.44 0 7 0 83 519.638 11

Activity (Go SEA)

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