UCSF

ZINC06620895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 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) 3.39 8.77 -63.41 0 6 -1 79 412.437 9
Mid Mid (pH 6-8) 3.39 1.12 -10.52 1 6 0 76 413.445 9
Mid Mid (pH 6-8) 2.81 0.99 -17.46 0 6 0 72 413.445 9

Activity (Go SEA)

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