UCSF

ZINC09508051

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 37 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) 4.87 12.77 -56.73 0 7 -1 88 500.571 11
Mid Mid (pH 6-8) 5.32 10.42 -27.59 1 7 0 85 501.579 10
Mid Mid (pH 6-8) 4.29 11.4 -22.5 0 7 0 82 501.579 11

Activity (Go SEA)

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