UCSF

ZINC06565265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 27 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) 3.48 9.4 -62.08 0 6 -1 86 399.835 4
Mid Mid (pH 6-8) 3.93 0.87 -17.37 1 6 0 83 400.843 3

Activity (Go SEA)

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