UCSF

ZINC09601468

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 30 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) 4.91 9.13 -10.57 2 6 0 82 466.39 5
Mid Mid (pH 6-8) 4.91 9.44 -41.52 1 6 -1 85 465.382 5
Mid Mid (pH 6-8) 4.91 9.89 -44.9 1 6 -1 85 465.382 5

Activity (Go SEA)

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