UCSF

ZINC09302189

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 36 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) 4.80 11.45 -57.89 0 7 -1 88 486.544 10
Mid Mid (pH 6-8) 5.24 11.18 -13.08 1 7 0 85 487.552 9

Activity (Go SEA)

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