UCSF

ZINC09512475

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 33 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) 5.02 10.38 -16.41 1 6 0 80 484.335 8
Mid Mid (pH 6-8) 4.43 11.08 -23.49 0 6 0 77 484.335 8

Activity (Go SEA)

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